#!/bin/sh

# Collect -D & -m options as java arguments
command=java
while [ `echo $1 | egrep '^-D|^-m' | wc -l` != 0 ]; do
	command="$command $1"
	shift
done

if [ -f ./Jmol.jar ] ; then
  jarpath=./Jmol.jar
elif [ -f $JMOL_HOME/Jmol.jar ] ; then
  jarpath=$JMOL_HOME/Jmol.jar
elif [ -f /usr/share/jmol/Jmol.jar ] ; then
  jarpath=/usr/share/jmol/Jmol.jar
else
  echo Jmol.jar not found
  exit
fi
$command -Xmx512m -jar $jarpath $@
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        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ZBXt^ϵ~Qn mp5qVv/,'cZ47)lgSy /C1o6ܯźDQ=() J(v\M`;dt~{m4|;=`F~/8bRcbܚa<ZNbZs3!mm{Dh!w
CY`.S97ûcI1pŠ>:=W)
4&b}	'.
&]^K|tmҾR!zXkUʞf^m6
D7@|GNZ)>w%BCFmV|,LVЮYk#}mOiq5WD]sٵ;k ܗU]eO5p?"!nزَEnNW
yi6OGzdA2܏JaxܵJ9r9[ovT:^`=0-󺁵-'a^"N} Ql
Wa(B67ˣQXR!.|Y|s~,٣.eݕ-5{w[=N{llߺDp[Bxnld̡x$WGf.+Ml-d][r1)cvkE	hfQ<]vw>erʹL}sAMyjF٘f>$	#AOfIvfZ<>]yclE7Z*ƀOOW|CAS[Oj	|H2ȯo@whRxBlU~ UXɦkg
(9!e-spLXO7ެWfM{ꕘkCtTI)4VV$mڸAOǽ"~Is{Ǩ?z,f3*\obz'z՜+#jqop{~ʚ>BiBlg敤aN31>0f:݅י*J(oBYغJi,	-!vI86|cqtcCdt_	:_ip9ְC6n<0A-n|]dߐ*wZB-&28Ţ2BOGZ/91D6{TF8IB&+M%j/S kMje+Jbk'өaJp3s5Wm/29<m2]؉>0ytxվƪ	 fu6L7#C|M>ůRq% DTz3K(j{o2ɤMvp> EW5JuJ/'y"6'Km/nqG(\ynCIU)K;DrEK_v&nbCb;(y8)VFQ7BǖT~*#ԋIۯN]v7#E]yl""`XWV-.kwI?^Ove+ZgXiIao6;9W#<_LFF٢]>^&(@T< f
+'zF~ݎ!?;[]Aؼ"۰ݝme[_x/Ҋ29ħ{iGQ>%jvŞvyd)6p_}{c4;0pVj䯯  q 1+?ԈsN[7M2#nYOog{}\RCm>6O
$iH e}4
e#d<V\Oj#oYN`Ud=q{q42fAC_8E%k:Bgt)	+{d`C7<Ŧ#Mߡq%mo8Pd[h/O3ޞG_:bYIC*ESY~ng$>]h:`؛ې̦#ظ2M&7:`-*g]`[otՌ^"c6f?VH7@>QO1955_v}+z`n}*5,sA!1W*>龕qV 75),]G]t%ֳ;%v(CѳBج֦K?SI$^m2r_k`9),%AB}dp2ͱ|ɥCjqU}1	WOlx6ŉ3
w@o'(=}Q0Z:{豈<Ktطפ?Ch	
;CpK{sz|j ;<r^dMa(rurƶαJOF(F1iM}uW宠7kMr"i}ZPK%%  g  PK   +:               META-INF/SELFSIGN.RSA3hbfjhδ%Ǡ%ѐۀUIqA}&@⤦߀.Tݸ9M)4P@+/-JNM/JOK-15I󔗗끕 -A\^@!<`VҜ"Ĝ̪Ē<C	1Vna~VԲԜԢbC)	 XB9q^Sc##Sc(q^c#sC(wzqr0207 㨃șZ[n4x?pˮ?19oڭgY}u=:crsVa_*̿~=kݚ&j盠A([]F'77߫>21320F6RDK:6#r~MWL+i{ו%'ȉZҏV۹?ιr;nixHll|1QGVPD:£Zt~bO772lbL1hbL ƽC4y)&~9e,lTivڱEƕ067xhoq`~;^gҾ㻫wf[T|;屇v&_hrPwuۭ$0b{ŃV' PK,    PK
     +:            	  META-INF/  PK   +:               META-INF/INDEX.LISTUMO0Wn 4vCnv&$iדC.Ib?qQ,oQ&y0=[
_h,ɐ΂)!*Bq
$N!L+
ʢ#;+Yn>RPЂ"ڑX*@Hpq& Ӷa"k9ps&lA)sT0U:U! qǇ\	K*WM
*2iy/nHWBbEI	oIpX?\4N~~er:cDLv{F
ki4S\\(QZ]>NX-6b)#bh.lV/09m:j%hxbrPK    PK
     +:               com/PK
     +:               com/obrador/PK
     +:               javax/PK
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BQ,R49ߏWF_b{ޡ(G)yT8P9uvvMz2jӱ+1Ah6z~\_jlP7wtTb+$]j@0ccоl-WM!?D4,jPf3%Vokr"XS5SbW{9Mu!fgAK>Y0{٢dZMP5t>KӲLSIxZogcy=^$΂0z=C'Ə}bs~Ls3I)@r}q)fz/˴|hܤIL&xrj5jJses_<mCV>|jG1"N S%%FRLqcFyZ\ݦ3
.m!UwtOq}#0N#}m/IDaZşoqtG-h]]"ܔ垅>Չdռ{F[Yarst                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            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&N6NYb֦Ss;LrSZ"r*v;X4!i{)ޑ+MW}mQxOk(uC2N48`"\RIə	|a
6ڸ<x9$ٷdyoߔoߜ7~Аwshq<ϳ|+@XNl r(r*U5NsR-
ז/e)v)> S}Jړ_P0h*|I/H[P(&`$y"ETtKɑri0`l5K(jA ~
vrΦ(=0@=nNRqZatv6-)Nj\I#5
:K	wf:^8E2#1 Rqal{
:"[CvmXsQ$f]
6f/ nDjTG=HnnJeQNeݒGWEFȄrNrCVs0M[!nS"AH:rcu"OjaPW5OiW.Vҥ8@"9W>')Ѩ 9Hw;ǽAQ]>WR>͟OӞ'WdraGl]*J.2^9$PN]W;f5(H؜*t$gTVb-ERJUuIMǉNi[&+ZlNz^vI^2?aҶ$ݘn+Yo=cI?'K@*Fsvm`8}o/{~!!X8ˎ}E$ajo։dO*]48&]<I;d@T5G@t4i9#%@ʇag>W'_/;6^("W~7,UxM&ȼ*6V5Oae|'OW`\F!A
R\ۣ6\>;˭h(:L)?IEFt eZh;&94	Me"Ѯƕ_0_w$n3i|# SiRi\A7I@~!t/ jj`b/)mQƕbev~6~:Ikc8ڬ0d3s[`~ }ʀ>gv|ke/Q4(*7 aiucPNp plzxgAWkmW,iW4n^[`.(~Y=<Mݢb?hnM'*ǤI+'9+NғwZ.e(UE)bQ:[(X<+SV.v:&'Q# PK
    +:N	  
  !   org/jmol/shape/MeshRenderer.classWyxTWf&7!&!$K'd @K!NL[R/Ke&UZwMRk53V*RԺ׭.VҺx}o&!G?s9lsλÅ*M;m~\w2]ûڜw3x9|1O~?f> 3v~;ࣼ1x w>ɼ7f O1y0v/#La>f>r?{Y|QH\ecc=!?>/q&ȱ<}|	=r_I`k~|royw1d|u͖ԩǘ.1>0x0@?b~Efe4ƢHn.(0;A0#lǢ~#4ۍ-~} oMu!h,C$qÈV2I8ףN4:Zd,NeS%c1b}$$ ۣ ;֣I%wnŻ»zbV8ѭ;LHqn#IfCM(yl\r#GZ[QW,Vᾤi7Ɉ$)Z3j&/pZH!a7nD;8JFVRNCӞ FEz~g%hf3#fvŢD$95㣖٘:ad9ڥL{B;wrঁX<)1 	ōqܘCHl_45C-$~-@:SHC̲zXTitI
x(zXob7ų~'{AxN,V+{}-^'7n.ͻ`OKDxJx4H3<	06]
Aȃ	n\/GxЄO
?8QE9BJQ 
HD1wibEPQJnfelk(g
)手̗bX(EX$bDVo)B\,BjU\Sv#']]u'W5WiRCvRP;T)ղ3-om+P2CT$dߣ
CM/\%9=f4[hlp̚Ftf[j=uL8Ӥ&7ݜ9.mVE-$S2ua'Mf7\{HF,mS@T3̈́fZfrһȖ MݱEeڧn=uΓ;;C/R4Kz	of{n#M31]oʽP}TݱݙiWwOueMYx=e5ZF}M2Fzp.\N'\\DZ[co&6Q#S4-CUAD]hC.;5oAlC9KW8Q[uc#1ST9{Òzq`&gsdvd7sۧ\iQE<vr??JLNU}zGܴtd躐`3`SʥsA춈=ф-.2Ӕ%жssM5sQ[!H^HonzxCP+=PJ{DQ.g7Z{c/gLqgZ"G
/H>
Q;
W
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    +:@5  O     META-INF/INDEX.LISTUn0#Ҫ*HHHjco` *.Nv3^?2roXRxt7Sīhf8`JCb\yd[ȏhL[ʬ!x[CD"+_4EE`gVי^Pqj'i->A3s8sTpWu߈	#Os>(	3$vW1e&s3}YX)!3e2J
_wJ<н5L%%bhwϔX3X?tͥmŉx#ճsG)&j\hd=)lٮXRlyP	1,ĂĚ}ʬJi)If`Dg=cV..Lg 3IPPK
     +:            	         A    META-INF/  PK
    +:Θd\   j              +   META-INF/MANIFEST.MFPK
     +:                      A   com/PK
     +:                      A   com/obrador/PK
     +:                      A  javax/PK
     +:                      A)  javax/vecmath/PK
    +:$U               U  com/obrador/license.txtPK
    cn+"6W	                 javax/vecmath/AxisAngle4d.classPK
    cn+ ]	  }               javax/vecmath/AxisAngle4f.classPK
    bn+T<8  =             e  javax/vecmath/Matrix3d.classPK
    bn+aNF  <             0  javax/vecmath/Matrix3f.classPK
    cn+Ԣ,  t             I  javax/vecmath/Matrix4d.classPK
    cn+6-(  g             mv  javax/vecmath/Matrix4f.classPK
    ]n+  w               javax/vecmath/Point2d.classPK
    `n+R_J!Z                 javax/vecmath/Point3d.classPK
    `n+^sqb                 javax/vecmath/Point3f.classPK
    an+v                 javax/vecmath/Point3i.classPK
    `n+               c  javax/vecmath/Point4d.classPK
    `n+]               b  javax/vecmath/Point4f.classPK
    cn+M:
               j  javax/vecmath/Quat4d.classPK
    cn+                 javax/vecmath/Quat4f.classPK
    en+JR    +             javax/vecmath/SingularMatrixException.classPK
    Rn+#  f             X  javax/vecmath/Tuple2d.classPK
    Rn+
               W  javax/vecmath/Tuple3d.classPK
    Rn+@U~                 javax/vecmath/Tuple3f.classPK
    Tn+0R  \             c  javax/vecmath/Tuple3i.classPK
    Sn+2V	                 javax/vecmath/Tuple4d.classPK
    Sn+TkG	  4             J  javax/vecmath/Tuple4f.classPK
    Vn+(                 javax/vecmath/Vector3d.classPK
    Vn+!                javax/vecmath/Vector3f.classPK
    Wn+L               	 javax/vecmath/Vector4f.classPK
     +:                      A' org/PK
     +:            	          AI org/jmol/PK
     +:                      Ap org/jmol/adapter/PK
     +:                      A org/jmol/adapter/smarter/PK
     +:                      A org/jmol/api/PK
     +:                      A org/jmol/applet/PK
     +:                      A/ org/jmol/atomdata/PK
     +:                      A_ org/jmol/bspt/PK
     +:                      A org/jmol/g3d/PK
     +:                      A org/jmol/geodesic/PK
     +:                      A org/jmol/i18n/PK
     +:                      A org/jmol/modelset/PK
     +:                      AB org/jmol/shape/PK
     +:                      Ao org/jmol/util/PK
     +:                      A org/jmol/viewer/PK
    +:&qā                JmolApplet.classPK
    +:x               x jmol75x29x8.gifPK
    +:y#    #            org/jmol/adapter/smarter/Atom.classPK
    +:#  	N  0           " org/jmol/adapter/smarter/AtomSetCollection.classPK
    +:nK,  ,  6           LC org/jmol/adapter/smarter/AtomSetCollectionReader.classPK
    +:   2  #           X org/jmol/adapter/smarter/Bond.classPK
    +:OA  _  0           Y org/jmol/adapter/smarter/LimitedLineReader.classPK
    +:7  0  '           \ org/jmol/adapter/smarter/Resolver.classPK
    +:A`w  /  >           	v org/jmol/adapter/smarter/SmarterJmolAdapter$AtomIterator.classPK
    +:t?c    >           { org/jmol/adapter/smarter/SmarterJmolAdapter$BondIterator.classPK
    +:r    C           ~ org/jmol/adapter/smarter/SmarterJmolAdapter$StructureIterator.classPK
    +:}"   $  1           ہ org/jmol/adapter/smarter/SmarterJmolAdapter.classPK
    +:o  h  (            org/jmol/adapter/smarter/Structure.classPK
    +:o{(F                org/jmol/api/Interface.classPK
    +:{  .  +            org/jmol/api/JmolAdapter$AtomIterator.classPK
    +:,    +            org/jmol/api/JmolAdapter$BondIterator.classPK
    +:$s  {  0            org/jmol/api/JmolAdapter$StructureIterator.classPK
    +:Cy=               ɛ org/jmol/api/JmolAdapter.classPK
    +:Fyx:g    &           B org/jmol/api/JmolAppletInterface.classPK
    +:     "            org/jmol/api/JmolBioResolver.classPK
    +:\
    &            org/jmol/api/JmolDialogInterface.classPK
    +:u܍    &           j org/jmol/api/JmolExportInterface.classPK
    +:=Nz      *           ; org/jmol/api/JmolFileReaderInterface.classPK
    +:*B!   O  ,            org/jmol/api/JmolImageCreatorInterface.classPK
    +:{p    (            org/jmol/api/JmolRendererInterface.classPK
    +:bx      (           A org/jmol/api/JmolSelectionListener.classPK
    +:W2  ~  #            org/jmol/api/JmolSimpleViewer.classPK
    +:8
[    %            org/jmol/api/JmolStatusListener.classPK
    +:NeN	                org/jmol/api/JmolViewer.classPK
    +:I      )           " org/jmol/api/MOCalculationInterface.classPK
    +:t:Y@      *           ' org/jmol/api/MepCalculationInterface.classPK
    +:+   0  %            org/jmol/api/MinimizerInterface.classPK
    +:Gi      )            org/jmol/api/SmilesMatcherInterface.classPK
    +: eB  U  $           ! org/jmol/api/SymmetryInterface.classPK
    +:	    &            org/jmol/api/VolumeDataInterface.classPK
    +:o  ^  2            org/jmol/applet/Console$ControlEnterTextArea.classPK
    +:e  4              org/jmol/applet/Console.classPK
    +:       #           S org/jmol/applet/GuiMap$GetKey.classPK
    +:p    %           $ org/jmol/applet/GuiMap$KeyJMenu.classPK
    +:/    )           ! org/jmol/applet/GuiMap$KeyJMenuItem.classPK
    +:тcx  	             % org/jmol/applet/GuiMap.classPK
    +:Z  "  +            org/jmol/a<"`G_r-PKT<8  =  PK   bn+               javax/vecmath/Matrix3f.class[	|T?͛Ld21L7H A@d&$dbZjZPZ%V뮁jUlնvqv~]\j}]ln&bߗo;{垻?|IL2Ρ7h%>PdWLLԻL0[c}~L?0GKɣXyTHo\_KҿrNtK˕9y4CX"'|"?7p1Ogx~.B033#,&0#EQ.
8'늸HsI\LSD	Sv9Oz\5kDm%Uy>3\bViYb%A)j%5W+yse\Y3O̓5PsRs{s)_zAƄĪDx}+jWv4[S|*ͮ͝+[==xgĻRͽy7JG@ʳ7n\͌Êk\0|)2c*ۛM(gۛf;bBY8vg1ܵpZRosDZuuIu\UP֎=nДE.Vy;eh>ՑRfI3!I	4><jksR.b#Y|1],]x{֎Nն0Qa5j}dbvə=6w.lojM^4Be8q:|wYqs'7$RP_`T%DW"1S] |$4hp68sylw#(Wu;l<nrkPz]V&H5L Ml뎷v8 'R6V׷ Be1w T<A֎J~ K5G ownvCBHu l{)ޕp-	E)	4w#HI%:[!ֳnV+HjSm!"O^..b;;˷|˷ۙlxhG\1;Րm,FJ %b~:qO1uSLL]ԅL]T8SL3TSOrѸVLJ:[82%|Q1u'	8q<+)		UJ6}O,T> ia*^ޘ]ݵ:sioCbkW3$'ŗuwv'Jtu+74w>aYD?]^\m~K?}E[$?}o~7'sCw=ļC8;O]cS4/b_,K0[vb`#_,8/:?=R3)
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I]WBuk6RP@&+>,Xd<AM(a3Ct%tմwI/5S\OG%F!)FiHqz$HMI1Vm%)F+)쓈(ĵr$~db܇gG%ƉNk1ZXfyzG#d}L䀰c"̈́Dq Lb"D	 "&Joi
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aFևTV(X>sAp^ vYf9/sI3ԟc>K?fD?[T-riBQLԔ|<%z,RbOشO;^q-Cn8Ƞ *@33%Y.+	։4S@<Q`-~ylX@ʶk_8X4`-tXnҢ7 -zҢ7 -zҢ7 -zҢ7 -z24X=3igMz挲wH+(Oy='Rg7 {\1){KҰZZ[tkƶ[LHR̴\f@3ÚsA͌;!)6XbZhA-6k-6k-6kG}gy6ILS>70hD$$y>'Z~,\nEl#']-63~5^,mNaok!,5>RxjfeG7KGO3̐ofC-!%ޮ@}~(ɶ:AXCGrX}#9\,#f>W-lه8unfe6GC,vz({2}>dU$'FIk`fX'в#|Y
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7Bs^&EoԄL2RַbY!-\<;xB]ʃX!qC=MךiD<W<p	Q%_{e'$Kk٠1bjU/QVCmo6K^6<5(zjti=`XK=運m~r@n5j 4=^<$*:Y3L@VRc5/{R஼7|^ƾsKm}py
<w;녚-c<MI-O
XͬtXaư7h^cBx5[rrl{Zu &\530l	vr_x<a۟~l	bEM-yQ?״~L :ս?V+.fUPTt0@oqĊMF[&Y1Yɨ;f	`B-?vXWG#z۞P55]+lr _4\QD GS)u|oIγSi		؂oҚ[@@s4]rpS҈C^(P4"u hڌԸ{⣘?:Rپ#x!7+dblj2uߔy=z.23O
$U4i1cGFώq6waC1/UN@Wإ! "ywofa)㙕Z탔Ypox,KE>l=*iɑ0A5w괭Bp9(10RA<˞	Z#W D6LkHak7}Js~N\ܒwR,Q*3-6~T>iE5\P^
UR93%Y?Y𹘿^l%f%+YZzVTN8
_jG[e8@ ˧ z$>kSVqbߐHԡ:kb2sgH+Q:LHi"RٖO2mnI0XTmtku r{Gtv{7RGqQ6ACUc38/^fv }EٮO}--^j~,V}I
J.}ӵa.o#&fc|Rǔnhq8UhCyQ!9 N@z`}|pgp\.n%mEre3wP)(Z`O$p*ʘ1=RC;~GxQ  +:'he  8  +            org/jmol/appletwrapper/ClassPreloader.classPK
    +:kOv  X  )            org/jmol/appletwrapper/TickerThread.classPK
    +:CFV     *            org/jmol/appletwrapper/WrappedApplet.classPK
    +:OW    0            org/jmol/appletwrapper/WrappedAppletLoader.classPK
    +:04  "               org/jmol/atomdata/AtomData.classPK
    +:      &            org/jmol/atomdata/AtomDataServer.classPK
    +:<!                org/jmol/bspt/Bspf.classPK
    +:kH                org/jmol/bspt/Bspt.classPK
    +:[  {               org/jmol/bspt/CubeIterator.classPK
    +:q   	              org/jmol/bspt/Element.classPK
    +:B8Ȑ  u              org/jmol/bspt/Leaf.classPK
    +:fQګ                org/jmol/bspt/Node.classPK
    +:@X                org/jmol/g3d/Awt3D.classPK
    +:	                | org/jmol/g3d/Circle3D.classPK
    +:jz  \              org/jmol/g3d/Colix3D.classPK
    +:fs.4  #             R org/jmol/g3d/Cylinder3D.classPK
    +:|               K org/jmol/g3d/Font3D.classPK
    +:	yvA               } org/jmol/g3d/Graphics3D.classPK
    +:Ʌ  $             O org/jmol/g3d/Hermite3D.classPK
    +:M               Y] org/jmol/g3d/Line3D.classPK
    +:HW-  d             ej org/jmol/g3d/Normix3D.classPK
    +:*&P    ,           q org/jmol/g3d/Platform3D$ClearingThread.classPK
    +:cF.               Et org/jmol/g3d/Platform3D.classPK
    +:}L               z org/jmol/g3d/Rgb16.classPK
    +:  
             0} org/jmol/g3d/Shade3D.classPK
    +:Ş9.  F              org/jmol/g3d/Sphere3D.classPK
    +:qz+                org/jmol/g3d/Swing3D.classPK
    +:kV
                org/jmol/g3d/Text3D.classPK
    +:\`4d  s              org/jmol/g3d/Triangle3D.classPK
    +:*  6  +            org/jmol/geodesic/EnvelopeCalculation.classPK
    +:                 org/jmol/geodesic/Geodesic.classPK
    +:}e  q              org/jmol/i18n/GT$Language.classPK
    +:u                org/jmol/i18n/GT.classPK
    +:T^  U  &           ! org/jmol/jvxl/api/MeshDataServer.classPK
    +:(7   (  (            org/jmol/jvxl/api/VertexDataServer.classPK
    +:"Q!  wb  &            org/jmol/jvxl/calc/MarchingCubes.classPK
    +:KC    6           t org/jmol/jvxl/calc/MarchingSquares$ContourVertex.classPK
    +:(t    5            org/jmol/jvxl/calc/MarchingSquares$PlanarSquare.classPK
    +:En  /  (           a org/jmol/jvxl/calc/MarchingSquares.classPK
    +:"w    !            org/jmol/jvxl/data/JvxlData.classPK
    +:u  0  !           q org/jmol/jvxl/data/MeshData.classPK
    +:ֳ    #             org/jmol/jvxl/data/VolumeData.classPK
    +:S    &           ) org/jmol/jvxl/readers/ApbsReader.classPK
    +:ͣ  c  *           6. org/jmol/jvxl/readers/AtomDataReader.classPK
    +:ޚb  h  &           3; org/jmol/jvxl/readers/CubeReader.classPK
    +:E/    (           > org/jmol/jvxl/readers/IsoFxyReader.classPK
    +:YT  H  '           3C org/jmol/jvxl/readers/IsoMOReader.classPK
    +:בyJ    (           J org/jmol/jvxl/readers/IsoMepReader.classPK
    +:0    *           \N org/jmol/jvxl/readers/IsoPlaneReader.classPK
    +:	`
    *           _Q org/jmol/jvxl/readers/IsoShapeReader.classPK
    +:0G  "  ,           \ org/jmol/jvxl/readers/IsoSolventReader.classPK
    +:  d  (           m org/jmol/jvxl/readers/JaguarReader.classPK
    +:J!  C  &           t org/jmol/jvxl/readers/JvxlReader.classPK
    +:g    -           X org/jmol/jvxl/readers/LimitedLineReader.classPK
    +:qB  h,  &           
 org/jmol/jvxl/readers/Parameters.classPK
    +:.<1}    .           # org/jmol/jvxl/readers/PltFormattedReader.classPK
    +:n  ;  ,           l org/jmol/jvxl/readers/SurfaceGenerator.classPK
    +:?f  /  ,           J org/jmol/jvxl/readers/VolumeDataReader.classPK
    +:q  V  ,           F org/jmol/jvxl/readers/VolumeFileReader.classPK
    +:Ɋst  1  '            org/jmol/jvxl/readers/VoxelReader.classPK
    +:9d  &  '           D  org/jmol/jvxl/readers/XplorReader.classPK
    +:/F                org/jmol/minimize/MinAtom.classPK
    +:P  Z             
 org/jmol/minimize/MinBond.classPK
    +:uQ    4           6 org/jmol/minimize/Minimizer$MinimizationThread.classPK
    +:	*  2  !            org/jmol/minimize/Minimizer.classPK
    +:  y             ' org/jmol/minimize/Util.classPK
    +:9K    .           0 org/jmol/minimize/forcefield/Calculation.classPK
    +:
  b  /           2 org/jmol/minimize/forcefield/Calculations.classPK
    +:ޜc  |  <           = org/jmol/minimize/forcefield/CalculationsUFF$AngleCalc.classPK
    +:r@  	  ?           F org/jmol/minimize/forcefield/CalculationsUFF$DistanceCalc.classPK
    +:ߣU  g  9           NK org/jmol/minimize/forcefield/CalculationsUFF$ESCalc.classPK
    +:>y#  L  :           O org/jmol/minimize/forcefield/CalculationsUFF$OOPCalc.classPK
    +:]y    ;           V org/jmol/minimize/forcefield/CalculationsUFF$PairCalc.classPK
    +:ot  j  >           =X org/jmol/minimize/forcefield/CalculationsUFF$TorsionCalc.classPK
    +:  	  :           8` org/jmol/minimize/forcefield/CalculationsUFF$VDWCalc.classPK
    +:ntS  #  2           e org/jmol/minimize/forcefield/CalculationsUFF.classPK
    +:`d&      *           t org/jmol/minimize/forcefield/FFParam.classPK
    +:` SM  "  -           u org/jmol/minimize/forcefield/ForceField.classPK
    +:7    0           D org/jmol/minimize/forcefield/ForceFieldUFF.classPK
    +:_.  0  $            org/jmol/minimize/forcefield/UFF.txtPK
    +:ļ4  B              org/jmol/modelset/Atom.classPK
    +:}.  `  &           ɹ org/jmol/modelset/AtomCollection.classPK
    +:̈R      )            org/jmol/modelset/AtomIndexIterator.classPK
    +:  z  /            org/jmol/modelset/AtomIteratorWithinModel.classPK
    +:`W    -           ( org/jmol/modelset/AtomIteratorWithinSet.classPK
    +:ʴSR    $           , org/jmol/modelset/Bond$BondSet.classPK
    +:6FC  #              org/jmol/modelset/Bond.classPK
    +:ygա  	%  &           = org/jmol/modelset/BondCollection.classPK
    +:>j      $           
 org/jmol/modelset/BondIterator.classPK
    +:(b    ,           
 org/jmol/modelset/BondIteratorSelected.classPK
    +:ڵE  
              org/jmol/modelset/BoxInfo.classPK
    +:oaj  
              org/jmol/modelset/Chain.classPK
    +:KWC$                org/jmol/modelset/Group.classPK
    +:JyE`    #           # org/jmol/modelset/Measurement.classPK
    +:un'}  7  *           1 org/jmol/modelset/MeasurementPending.classPK
    +:A	               4 org/jmol/modelset/Model.classPK
    +:v    3           > org/jmol/modelset/ModelCollection$StateScript.classPK
    +:XU    1           B org/jmol/modelset/ModelCollection$Structure.classPK
    +:!qδQ  r  '           D org/jmol/modelset/ModelCollection.classPK
    +:D7)  V  #            org/jmol/modelset/ModelLoader.classPK
    +:R  9               org/jmol/modelset/ModelSet.classPK
    +:\}_  	               org/jmol/modelset/Molecule.classPK
    +:\)                org/jmol/modelset/Polymer.classPK
    +:ѵu  
  '           I org/jmol/modelsetbio/AlphaMonomer.classPK
    +:7M    '           ; org/jmol/modelsetbio/AlphaPolymer.classPK
    +:^
$
    '           @ org/jmol/modelsetbio/AminoMonomer.classPK
    +:^7	    '            org/jmol/modelsetbio/AminoPolymer.classPK
    +:J;  96  %            org/jmol/modelsetbio/BioPolymer.classPK
    +:Ӭd  t  .            org/jmol/modelsetbio/CarbohydrateMonomer.classPK
    +:+2     .           8! org/jmol/modelsetbio/CarbohydratePolymer.classPK
    +:m_                8" org/jmol/modelsetbio/Helix.classPK
    +:Q*,	    "           $ org/jmol/modelsetbio/Monomer.classPK
    +:l  9  )           . org/jmol/modelsetbio/NucleicMonomer.classPK
    +:!d    )           7 org/jmol/modelsetbio/NucleicPolymer.classPK
    +:E    ,           ; org/jmol/modelsetbio/PhosphorusMonomer.classPK
    +:a      ,           $? org/jmol/modelsetbio/PhosphorusPolymer.classPK
    +:i    +           ? org/jmol/modelsetbio/ProteinStructure.classPK
    +:Vp7  #  #           +G org/jmol/modelsetbio/Resolver.classPK
    +:R#.                K org/jmol/modelsetbio/Sheet.classPK
    +:L                 oO org/jmol/modelsetbio/Turn.classPK
    +:W8    7           LP org/jmol/popup/JmolPopup$CheckboxMenuItemListener.classPK
    +:{k    /           ^R org/jmol/popup/JmolPopup$MenuItemListener.classPK
    +:T%  O             @U org/jmol/popup/JmolPopup.classPK
    +:>$8	  ]  !           h{ org/jmol/popup/JmolPopupAwt.classPK
    +:!d    #           ߄ org/jmol/popup/JmolPopupSwing.classPK
    +:DD>  K  (            org/jmol/popup/PopupResourceBundle.classPK
    +:"H  &  $           , org/jmol/quantum/MOCalculation.classPK
    +:lv  <  %           ; org/jmol/quantum/MepCalculation.classPK
    +:в  /	  )           3 org/jmol/quantum/QuantumCalculation.classPK
    +:ۿP                org/jmol/shape/AtomShape.classPK
    +:o_Vg>               " org/jmol/shape/Axes.classPK
    +:QIV  =  !            org/jmol/shape/AxesRenderer.classPK
    +:@Nt                org/jmol/shape/Balls.classPK
    +:&~  	  "           l org/jmol/shape/BallsRenderer.classPK
    +:$xQ               * org/jmol/shape/Bbcage.classPK
    +:\1x  T  #            org/jmol/shape/BbcageRenderer.classPK
    +:W               m org/jmol/shape/Dots.classPK
    +:c    !           L" org/jmol/shape/DotsRenderer.classPK
    +:r   {             ) org/jmol/shape/Echo.classPK
    +:G\    !           1 org/jmol/shape/EchoRenderer.classPK
    +:;QG  '  "           7 org/jmol/shape/FontLineShape.classPK
    +:`    *           9 org/jmol/shape/FontLineShapeRenderer.classPK
    +:k  {             x< org/jmol/shape/Frank.classPK
    +:c
    "           C@ org/jmol/shape/FrankRenderer.classPK
    +:z.  h             ^C org/jmol/shape/Halos.classPK
    +:|    "           AG org/jmol/shape/HalosRenderer.classPK
    +:eg  W             L org/jmol/shape/Hover.classPK
    +:l6    "           UR org/jmol/shape/HoverRenderer.classPK
    +:*  R%             ?V org/jmol/shape/Labels.classPK
    +:q    #           Oh org/jmol/shape/LabelsRenderer.classPK
    +:v  ,             p org/jmol/shape/Measures.classPK
    +:U<  !  %            org/jmol/shape/MeasuresRenderer.classPK
    +:-Z
                org/jmol/shape/Mesh.classPK
    +:]b  l#  #           l org/jmol/shape/MeshCollection.classPK
    +:N	  
  !            org/jmol/shape/MeshRenderer.classPK
    +:ONG|               , org/jmol/shape/Object2d.classPK
    +:B  R  "            org/jmol/shape/Object2dShape.classPK
    +:                org/jmol/shape/Shape.classPK
    +:a    "            org/jmol/shape/ShapeRenderer.classPK
    +:.Xr                 | org/jmol/shape/Stars.classPK
    +:,  [  "           & org/jmol/shape/StarsRenderer.classPK
    +:               x org/jmol/shape/Sticks.classPK
    +::A5    #            org/jmol/shape/SticksRenderer.classPK
    +::gai  S              & org/jmol/shape/Text.classPK
    +:tR  K             	 org/jmol/shape/TextShape.classPK
    +:L8]               		 org/jmol/shape/Uccage.classPK
    +:/  U  #           {	 org/jmol/shape/UccageRenderer.classPK
    +:  Q              	 org/jmol/shapebio/Backbone.classPK
    +:Ѱf{    (           	 org/jmol/shapebio/BackboneRenderer.classPK
    +:CV-
  #              r	 org/jmol/shapebio/BioShape.classPK
    +:xy    *           S&	 org/jmol/shapebio/BioShapeCollection.classPK
    +:yu  0  (           .	 org/jmol/shapebio/BioShapeRenderer.classPK
    +:c                E	 org/jmol/shapebio/Cartoon.classPK
    +:j    '           F	 org/jmol/shapebio/CartoonRenderer.classPK
    +:>bd     "           O	 org/jmol/shapebio/MeshRibbon.classPK
    +:R  N  *           P	 org/jmol/shapebio/MeshRibbonRenderer.classPK
    +:jɀ                 S	 org/jmol/shapebio/Ribbons.classPK
    +:+#?4+    '           cT	 org/jmol/shapebio/RibbonsRenderer.classPK
    +:ef                U	 org/jmol/shapebio/Rockets.classPK
    +:\K  q  '           V	 org/jmol/shapebio/RocketsRenderer.classPK
    +:p                 b	 org/jmol/shapebio/Strands.classPK
    +:#  <  '           c	 org/jmol/shapebio/StrandsRenderer.classPK
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    +:3    "           i	 org/jmol/shapespecial/Dipole.classPK
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    +:;o    $           @	 org/jmol/shapespecial/DrawMesh.classPK
    +:(>  C  (           j	 org/jmol/shapespecial/DrawRenderer.classPK
    +:٥mh    0           A	 org/jmol/shapespecial/Ellipsoids$Ellipsoid.classPK
    +:P    &           J	 org/jmol/shapespecial/Ellipsoids.classPK
    +:#  d'  .           	 org/jmol/shapespecial/EllipsoidsRenderer.classPK
    +:Jp   (  &           	 org/jmol/shapespecial/GeoSurface.classPK
    +:@    .           	 org/jmol/shapespecial/GeoSurfaceRenderer.classPK
    +:t?    0           	 org/jmol/shapespecial/Polyhedra$Polyhedron.classPK
    +:WXZ  ?%  %           	 org/jmol/shapespecial/Polyhedra.classPK
    +:^    -           
 org/jmol/shapespecial/PolyhedraRenderer.classPK
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5۪wf톾ղzˮ͎-	ho[(	?~ X&	µNh/@t}o;fS/NpH(Ai[阍6iTT"NiNN`!u\#*MH}	ԣL&*/GOiEdՍwn.Yny6>NZETDUø	LƌYQ0qԺ9ܳ"#/07cci:ͪ7j[)<^hThpR%`rvnLj!䩴4T+/s=],v4E2fS&[Lκ9frVi >|ZCf>dmB#P8`$hFfK@+kw|.bdPϤ=ZKՃ#m]乑FRG0G0H%Ca.d}BgHi݃ϛ".yF(vg9,_ƜWN\V~PK(b    PK   +:               org/jmol/modelset/BoxInfo.class}T[WUL$¤^	P iV`e\0PZEAҵ+ Z.uo79"2+o_>{A+xSA&Ť|T265=D1xb۴b܅Yaeօwua΅-=a)KCKZ"WhaCJ yYiyy_  +9pFBbl9^٘O猳Vz8'<wZaVH'"nMRʥx~ń8&GgF<Ouc$_%G+v!]a;k!욻xT].TY[kB\ɥT.Lr`;\	:isgA dsuͩ<5ו.Φt 9'2x$ڗƜTK}:﹊3W1FjߧS4	Ι3b	l`nUI,$
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JKI-J-bPd`Z@4Hy`>vƍ` PKz      PK   +:            )   org/jmol/export/GeoSurfaceGenerator.class;o>f].. fYb✟Ƞ_ZQ_T\ZꞚZX_ȠWUXZ\6(5/%(A	h30!
 	Z70  PKT@      PK   +:            $   org/jmol/export/HalosGenerator.class;o>f].. fYb✟ _ZQ_T_잚ZX_ WPX
JKI-J-bPd`Z@4Hy`>vƍ` PKXTȄ      PK   +:            )   org/jmol/export/IsosurfaceGenerator.classS[oA(ۅiKU{
xYTKlC#	/<0m`I ̬>9g;9ߙ@PJa&.RqŤpU\Sˢ%\OwC7M,cEyi!cu빲<^Co]?0c6G9y;˩,x9)3<x686񊣈-9`aAo[B[v臽`ߩ#!;D-# Developers: to add a description of changes you have made,
# add it on a line starting with # below the "version=..." line

version=11.6.13

# bug fix: user menu ...Text menus not translated

# -----------------------------------------------------------------------------

#version=11.6.12

# bug fix: protein-protein hydrogen bonds not calculated across biopolymer boundaries
# bug fix: quaternion straightness update

# -----------------------------------------------------------------------------

#version=11.6.11

# aargh -- forgot to upload file for 11.6.10

# -----------------------------------------------------------------------------

#version=11.6.10

# bug fix: vibrationperiod set to 0 if vibration off when state saved

# -----------------------------------------------------------------------------

#version=11.6.9

# bug fix: application -i option still gives message from "set xxxx"
# bug fix: some quaternions cannot be created from a 3x3, namely:
#   q = quaternion({1 2 -2}, {2 1 2}) = {0.57735026 0.57735026 0.0 0.57735026} (xyzw format)
# bug fix: ignoreError -- need not get error string
# bug fix: write image does not set mustRender
# bug fix: set debugscript and set loglevel do not act in script immediately 
# bug fix: translations of Console not implemented correctly
# bug fix: translation not disabled when messageCallback is present
# bug fix: script error messages not updating when language changed
# bug fix: MO scale
# bug fix: measure allConnected broken

# -----------------------------------------------------------------------------

#version=11.6.8

# bug fix: write .... @{...} fails
# bug fix: write .... @{...} can fail
# bug fix: write image CLIPBOARD broken
# bug fix: select {*.ca} (phi < select(y; {*.ca}; y.resno = _x.resno + 1).phi) fails when atomExpression is ({})
# bug fix: applet compilation error not sent in termination message
# bug fix: build javax package does not include Matrix4d.class, AxisAngle4d.class
# bug fix: compilation of myfunc({1 2 3}) fails
# bug fix: hover watcher occasional uncaught exception

# -----------------------------------------------------------------------------

#version=11.6.7

# bug fix: quaternion straightness update
# bug fix: applet improperly reporting status of "quiet" commands
# bug fix: stereo not in state
# bug fix: stereoDegrees parameter not reported correctly

# -----------------------------------------------------------------------------

#version=11.6.6

# bug fix: negative number in range involving ^ still fails  
# bug fix: translucency of mapped isosurfaces not saved in state 
# bug fix: Dialog look and feel for Mac

# -----------------------------------------------------------------------------

#version=11.6.5

# bug fix: negative number in range involving ^ fails: select 10^P -17^P  
# bug fix: goto xxx  with trailing white space fails to find xxx
# bug fix: goto with a # comment in the script prior to the target line fails
# bug fix: two //xxx comments in a row breaks script 
# code: superfast JVXL compression/decompression
# bug fix: straightness absolute value -- values 0 (not straight) to 1 (straight)
#  load =1crn;calculate straightness;color "bwr" range 0 1;color straightness
#
# bug fix: isosurface APBS dx file reader broken (since 4/2007)
# menu: "Minimize" GT

# -----------------------------------------------------------------------------

#version=11.6.4

# bug fix: UFF.txt not included in build
# bug fix: function definitions occurring before prior script commands are executed. 
# bug fix: message @{xxxx} in function not picking up function context variables
# bug fix: Some browsers do NOT strip \n from <param> tags, necessitating changes in loadInLine()

# bug fix: "valence" not "valency" in data property_valence
# bug fix:  initializeBspf(); missing in setTrajectory()

# -----------------------------------------------------------------------------

#version=11.6.3

# bug fix: set antialiastranslucent false not functional
# bug fix: text color near black with antialiasdisplay becomes white
# bug fix: text antialiasing of near-black text looks very bad when antialiased

# -----------------------------------------------------------------------------

#version=11.6.2

# bug fix: forcefield file UFF.prm --> UFF.txt
# bug fix: better Escape method for strings
# bug fix: connect auto not registered in state
# bug fix: draw point translucent only draws ring 
# bug fix: load string inline with multiple models fails
#
# code: FindBugs fixes for Eval, DrawRenderer, Isosurface, ForceFieldUFF
# code: ScriptWindow public: sendConsoleEcho,sendConsoleMessage,notifyScriptStart,notifyScriptTermination

# -----------------------------------------------------------------------------

#version=11.6.1

# bug fix: set labelToggle malfunctioning
# bug fix: missing default background for toggled labels
# bug fix: color {oxygen} translucent blue
# bug fix: color translucent 1 blue  1-8 integer settings off by one
# bug fix: background color +/-1 adjustment removed
# bug fix: spardir within /M... directory
# bug fix: (minor) "set echo xxx display" equivalent to "set echo xxx displayed"  missing 
# bug fix: (minor) "set echo xxx hide" equivalent to "set echo xxx hidden"  missing
 
# -----------------------------------------------------------------------------

#version=11.6

# bug fix: GIF encoder color / class not found issues
# bug fix: very thin cylinder does not appear at all viewing angles
# bug fix: load "/xxx" with unsigned remote applet loads local file instead of remote root directory
# bug fix: sulfur/sulphur always spelt as in IUPAC Red Book
# bug fix: display of aromaticSingle bond for NEW bond results in dotted bond.
# translation: English language variants no longer ignored

# -----------------------------------------------------------------------------

#version=11.6.RC18

# bug fix: fileName not reset after ZAP
# bug fix: set echo none; color echo green  null pointer exception
# bug fix: .x not recognized
# bug fix: set xxxCallback "" does not clear callback ("none" was required unnecessarily)
# bug fix: cartoons ending in helix or strand draw single dot for final amino acid

# -----------------------------------------------------------------------------

#version=11.6.RC17

# bug fix: draw scale not saved in state for arc or xy arrow
# bug fix: drag/drop not enabled on consoles
# bug fix: Jmol state command "calculate surfaceDistance WITHIN ({...})" not passing compiler
# bug fix: Swing antialiasDisplay broken due to setTransparentBackground debugging
# bug fix: trajectories not enabled
# code: if (true...)/ if (false...) code cleanup
# bug fix: select model=_modelNumber didn't differentiate between 2.10 and 2.1
# bug fix: select model=0.0 caused infinite loop

# -----------------------------------------------------------------------------

#version=11.6.RC16

# bug fix: mol2 PDB format better handling of chains and derived element types
# bug fix: save image button/menu interface broken in 11.6.RC15

# -----------------------------------------------------------------------------

#version=11.6.RC15

# new feature: MOL2 reader is PDB-enabled.
# new feature: data() and DATA expanded to allow fixed-column entry 
# bug fix: data property_partialcharge does not update atomic partialCharge data itself for MEP
#  but instead just creates a data type "property_partialcharge"
# bug fix: CML reader failst to load primitive lattice parameters when no symmetry
# note: CML reader only reads the first structure of a file
# bug fix: CML reader not assigning atom labels
# bug fix: CML files not properly loading symmetry
# bug fix: O- formal charge radius MUCH too large; N+ MUCH too small. -- REMOVED  
# code: thread control for Java Swing in applet context
#     thread creating Swing objects MUST be event thread 
#     -- using SwingUtilities.invokeAndWait() from the commandWatcher thread
# new feature: load menu items for signed applet
# new feature: save menu items for signed applet
# bug fix: applet -- setting a jmolScript callback prevents menu updates
# new feature: minimize menu item
# new feature: signed applet allows "load ?" and includes previewer
# bug fix: H-M spacegroup designations specifying nonstandard Hall symbols by default
 
# new feature: signed applet/application   load ?xxx  uses load dialog 
# webexport help updated to reflect ability to handle files opened with "load append"

# -----------------------------------------------------------------------------

#version=11.6.RC14

# new feature: signed applet may write file, images, scripts, variables to disk. User dialog is required.

# new feature: write GIF
# code: allows for getJpeg(quality,asString) option to return byte array instead of base64.
# bug fix: xxx.split()[3].replace  does not do selection first 
# bug fix: ramachandran and quaternion derivative not indicating structure due to dropping last atom

# -----------------------------------------------------------------------------

#version=11.6.RC13

# bug fix: set historyLevel  recording full scripts, not individual commands 
# bug fix: y-offset for echo text and images
# bug fix/new feature: HIDE/DiSPLAY/DELETE/COLOR $*xxx* extended to ECHO
# bug fix: findbugs input stream closure
# translation: add GT.escapeHTML and stricter checking for special characters in file names
#				used by web export.

# -----------------------------------------------------------------------------

#version=11.6.RC12

# bug fix: getProperty("atominfo",{atom expression}) not working for "atominfo[0].xxx
# bug fix: getProperty("modelinfo",{atom expression}) not working
# new feature: set atomPicking TRUE/FALSE
# new feature: set bondPicking TRUE/FALSE
# bug fix: draw pointgroup when principalPlane == null
# bug fix: findbugs corrections in minimize.forcefield, modelset.AtomCollection, shapespecial.DrawRenderer 
# new feature: applet parameter jmolSetCallback("maximumSize", nnn) -- sets maximum size of applet when resizing to this value 
# cml reader fix for not applying symmetry to first model
# translation: added GT._ calls for HTML templates and JS in WebExport

# -----------------------------------------------------------------------------

#version=11.6.RC11

# bug fix:   echo IMAGE and antialiasdisplay 
# bug fix: super/subscripts with antialiasdisplay
# translation: menu items in console
# bug fix: web export / language
# bug fix: draw pointgroup C2 2 not distinguished from draw pointgroup C2 1
# bug fix: d2 point groups cause null pointer exception due to missing principal axis
# bug fix: {*}.x = ....  broken

# -----------------------------------------------------------------------------

#version=11.6.RC10

# bug fix -- set picking spin, also compatibility of set picking spin and doing measurements
# bug fix -- draw pointgroup, write pointgroup draw

# -----------------------------------------------------------------------------

#version=11.6.RC9

# code: more efficient return of point group information and calculation
# new feature: getProperty PointGroupInfo
# bug fix: show pointgroup draw null pointer exception
# bug fix: print $planeA - capital letters in a draw name disallow finding it.

# -----------------------------------------------------------------------------

#version=11.6.RC8

# bug fix: ramachandran / ramachandran r navigation problem
# code: Minor refactoring and pruning. 
#    --- Core applet now 715K (JmolApplet0.jar + _Core, _Jars, _Main, _Popup, and _Viewer)
# code: Pre-Jmol.js button controls removed, saving about 10K
# new feature: script APPLET appletName "some script"
#   --allows direct inter-applet communication independent of set SYNC
#   --appletName can be * (all applets), > (other applets), . (this applet),
#     or an applet name such as "jmolApplet0" or just the extension "0" 
#     or a quoted set of applet names separated by commas.
#   --for *, the current applet always reports LAST
# new feature: x = script("some script", "appletName")
#   --same as above
#   --in addition, allows retrieval of information from another applet
#     for example:
#
#		x = script("print getProperty(\"modelInfo.modelCount\")","B")
#
#     gets the number of models loaded in applet jmolAppletB. 
# 
#		x = script("show orientation moveto","jmolApplet2")
#
#     gets the current orientation of applet jmolApplet2.
# 
#		xList = script("print getProperty(\"appletInfo.fullName\").split(\"__\")[1] + \":\" + script(\"show rotation\").trim()","*")
#
#     gets a new-line-separated list of rotational quaternions for all applets with applet names.
# 
# 
# new feature: print getProperty("modelInfo.models[3].file") syntax

# -----------------------------------------------------------------------------

#version=11.6.RC7

# new feature: draw ramachandran includes planes connecting atoms.
# bug fix: refresh for hover
# bug fix: state definition for lcaoCartoons, isosurface with IDs containing spaces
# new feature: $*xx*  double wild cards
# new feature: generally for objects (draw,pmesh,isosurface,etc.) use DISPLAY/HIDE rather than ON/OFF
#   so as to be consistent with other objects. (OFF was not deleting these)
# new feature: support for application transparent background -- "-b" command switch (testing only)
#   and setAppletContext "-b" switch as well.
# bug fix: structure helix|sheet|turn|none {atomExpression} was undocumented and had state issues 
# new feature: HIDE $xxx
# new feature: DISPLAY $xxx
# new feature: DELETE $xxx
# bug fix: adaptation for malformed PDB files (HEADER with nothing following it)
# bug fix: more language localization in webexport
# new feature: applet message regarding help and command entry

# -----------------------------------------------------------------------------

#version=11.6.RC6

# code: better navigation refreshing
# bug fix: oops, 11.6.RC5 is totally broken due to missing refreshes
# bug fix: language localization in webexport 

# -----------------------------------------------------------------------------

#version=11.6.RC5

# bug fix: set fontscaling with multiple echo texts/images at the same xyz location only scaling the first item
# bug fix: set echo xxxx 30 40
# bug fix: WAY more streamlined refreshing
# bug fix: createImage(), not getImage() in order to allow dynamic file change
# bug fix: halo size for antialiased display
# Addition of translation tags to webexport
# bug fix: write IMAGE broken for 11.6.RC2+
# bug fix: unnecessary refreshes removed from moveto/zoom with time 0
# new feature: background IMAGE "filename"
# code: viewer refactoring to simplify/remove private methods and synchronization

# -----------------------------------------------------------------------------

#version=11.6.RC4

# bug fix: select @m  throws an error
# code: refactoring shapespecial into shapespecial and shapesurface
# code: refactoring modelset.CellInfo into symmetry.SymmetryInfo
# code: realignment of applet JAR files
#  -- new _ShapeSurface.jar, which now includes org.jmol.jvxl/**
#  -- removal of _Jvxl.jar
#  -- refactoring reduces preliminary applet Jar file loading to 720K (if English)
#  -- should provide faster loading of simple models and more efficient loading of more complex ones
#  -- basic minimum load involves just JmolApplet0.jar + _Core, _Jars, _Main, _Popup, and _Viewer

# -----------------------------------------------------------------------------

#version=11.6.RC3

# bug fix: minor error in pointgroup; dimension tied to radius
# new feature: set dotDensity [-3 to 3]
# new feature: draw pointGroup [type] [index] SCALE [x]
#  where [type] is one of Cs, Ci, Cn, or Sn, where n is an integer or the character "n" 

# -----------------------------------------------------------------------------

#version=11.6.RC2

# bug fix: image background transparency

# new feature: set pointGroupDistanceTolerance (default 0.2 angstroms)
# new feature: set pointGroupLinearTolerance (default 8 degrees)

# bug fix: Cs pointgroup not found
# bug fix: set echo DEPTH/IMAGE
# bug fix: wor
# POV-Ray cleaner for Molecular Orbitals
# bug fix: getproperty atominfo returning string to Integer()
# PDB remediated atom name upgrade -- NEEDS CAREFUL CHECKING

# -----------------------------------------------------------------------------

#version=11.3.34

# write povray [width] [height] filename

# POV-Ray for mapped isosurfaces
# POV-Ray embeds Jmol script
# POV-Ray .pov files created by Jmol can be loaded as scripts


# code: cleaning of JmolConstants specialAtomNames
# code: cleaning of TextFormat.simpleReplace
# bug fix: select [SET] or [2MO] or [DB']
# bug fix: app -c flag errors not going to Logger.Error
# bug fix: no partial charges!
# bug fix: 11.3.14+ does not write colormapped JVXL files
# bug fix: Using isosurface within 1.0 @pt1 where pt1 is a draw point save state cannot be restored  

# -----------------------------------------------------------------------------

#version=11.3.33

# code: PovRay tweaks -- multiple bonds
# code: PovRay output uses BufferedWriter

# adds support for "xx'" atom designations in PDB and variable names

# bug fix: insertion codes stored incorrectly in 11.3.32

# new feature: inline scripting allows math
#
#   script INLINE "select " + site_list[2]


# new feature: site_ support for PDB and CIF
#
# loading of PDB and CIF files containing site information 
# automatically defines variables site_xxx and defines selections site_xxx and site_n
# where xxx is the site identifier and n is the site number.
# These settings are reset each time a file is loaded. 
# They do not carry over from one file to the next.

# adds    "OP1" and "OP2" as backbone designators (new PDB designation)


# _PovrayExporter adds draw, halos, stars, dipoles, vectors, polyhedra, 
#    backbone, cartoons, meshRibbon, ribbon, rockets, strands, trace,
#    dots, geosurface, molecular orbitals, LCAO cartoons, pmesh, 
#    single-color isosurfaces

# Web Export Dialog changes: new intro tab, new minilog at bottom, instructions converted to
#   buttons which open the info in the standard Jmol Help Dialog.


# bug fix: rockets color incorrect for head groups

# -----------------------------------------------------------------------------

#version=11.3.32

# bug fix: vibration disabled in 11.3.31
# bug fix: zoomto cancels slabbing
# bug fix: zoomto (atomExpression) 0  # zooms to 2x

# new feature: getproperty stateinfo TYPE
# where TYPE is one of:
#
#   colorState
#   dataState
#   fileState
#   frameState
#   modelState
#   perspectiveState
#   selectionState
#   variableState
#   windowState
#   
# bug fix: backbone not in state

# code(I): Mmset merged into ModelSet; 
#       Viewer accesses ModelSet methods directly
#       ModelManager streamlined substantially
#
#   This basically removes two full layers of abstraction.
#   All the atoms, bonds, and models are now in ModelSet.
#
# code(II): ModelSet extends ModelCollection extends BondCollection extends AtomCollection
#
# bug fix: dipoles moved back into shape from shapespecial
# bug fix: semi missing in show orientation message, second part (zyz text)
# bug fix: select 0 selects all instead of PDB group 0
# bug fix: write t.xxx

# -----------------------------------------------------------------------------

#version=11.3.31

# bug fix: calculate aromatic for N and O refined

# new feature: valence -- sum of bond orders
#  print {atomno=3}.valence
#  {atomno=1}.valence = 3  
#  select (carbon and valence != 4)

# new feature: settable atom properties (preliminary):
#  .x, .y. .z, .xyz, 
#  .fx, .fy, .fz, .fxyz,
#  .vx, .vy, .vz, .vxyz,
#  .formalcharge, .occupancy, .partialcharge
#  .temperature, .valence 
# for example:
#   a = {atomno=30}
#   a.xyz = {1.0, 2.0, 2.3}
#   a.temperature = 3.0
#   a.formalcharge = 2

# new feature: set atom properties using {xxxx}.x = 
#
# {atomno=3}.x = 3
# {(*)[2]}.xyz = {1 2 3}
# for(var i = 1; i < 3; i = i + 1); {(*)[i]}.x = 5;end for;
# {atomno=3}.property_whatever = 2.0

# new feature: set atom properties using an array instead of a DATA statement:

# {*}.property_mydata = array(1.0,5.5,4.4,3.3);
# {*}.property_mydata = "3 4 5 6 7 8";
# {atomno < 4}.xyz = array({3 4 5},{4 5 6},{5 6 7})

# code optimization for within() and setAtomBits()

# more export generator classes

# bug fix: unitcell missing some lines when axes turned off

# -----------------------------------------------------------------------------

#version=11.3.30

# new feature: adds H/Br/Cl/I/C logic to aromatic bond assignments
# new feature: adds Oxygen/Sulfur logic to aromatic bond assignments
# new feature: adds Nitrogen logic to aromatic bond assignments
# bug fix: menu for UNITCELL 

# new feature: PovrayExporter (pim schravendijk <pimlists@googlemail.com>)

# -----------------------------------------------------------------------------

#version=11.3.29

# new feature: aromaticSingle and aromaticDouble bond order options
# new feature: "smartaromatic" bonds # turned off with "smartAromatic = false"
# new feature: calculate aromatic    # calculates reasonable aromatic double/single alternation.   
# new feature: reset aromatic        # sets all aromaticDouble and aromaticSingle back to aromatic
# new feature: select ISAROMATIC     # selects aromatic atoms
# new feature: MOL reader recognizes bond types 4,5,6,7

# new feature: isosurface/mo "squared"

# new feature: fully generalized bond order "partial n.m"
#   n = number of lines, up to 5
#   m = binary mask for dottedness, up to 31 (0x1F)
#         00001  first line of bond dotted
#         00010  second line of bond dotted
#         00011  first and second line of bond dotted, etc.    

# new feature: connect may use numeric bond orders, including "partial n.m"

# new feature: preliminary work on functionalized state
# new feature: global/local functions (to applet, for instance
#   in general, functions are global -- common to all applets.
#   first-character "_" indicates this function is a LOCAL function, private to this applet.

# -----------------------------------------------------------------------------

#version=11.3.28

# critical bug fix for color command not coloring objects properly
# new feature: bondOrders 2.5 and -2.5  PartialTriple and partialTriple2

# -----------------------------------------------------------------------------

#version=11.3.27

# critical bug fix for functions not returning values
# bug fix for atomarray[i] not selecting properly
# bug fix for write not working with VAR
# bug fix for application not accepting pastes into the
#   console consisting of multiple lines
# bug fix for bondOrder command not properly treating 4.0 or 0.5
# bug fix for decimals not represented properly in error messages 

# -----------------------------------------------------------------------------

#version=11.3.26

# new feature: _1 parameter for "first atom" in second expression of connect:
#   connect 3.0 (_H and connected(_N) (_O and not within(chain,_1)) hbond 
# new feature: better reporting of PMESH file format errors 

# code cleanup: pmesh moved to shapespecial; privatized

# bug fix within(chain,xxx) not working
# bug fix for() as first command in script or line
# bug fix we were not exporting error free xhtml 1.1.
# bug fix for WebPageMaker not writing files
# bug fix for PAUSE causes app to hang -- this is a reversion of use of SwingUtilities.invokeLater(),
#  which actually will not work in ScriptWindow. We need the direct execution in
#  order to avoid the event queue from stopping itself.

# -----------------------------------------------------------------------------

#version=11.3.25

# bug fix compiler not recognizing "axes =" or "measures = "
# bug fix for WebPageMaker creating uncompressed PNG
# bug fix for WebPageMaker not stripping \ in load file names

# -----------------------------------------------------------------------------

#version=11.3.24

# critical bug fix for 11.3.23 compiler not recognizing line endings
# bug fix for show state for draw in multi-model environment
# bug fix? for background model not available for multiple frame range (e.g. frame 2.0) or after invalid frame number
#
# new feature: within(distance,isWithinAllModels,atomExpression)
#
# allows finding atoms within a specified distance of other atoms in OTHER models:
#
#   select within(5.0,true,model=2.1)  # TRUE indicates we should check all models
#   select within(5.0,false,model=2.1) # FALSE -- only model 2.1
#   select within(5.0,model=2.1)      # default is FALSE

# -----------------------------------------------------------------------------

#version=11.3.23

# VERSION full script flow control support:

# if / else if / else / end if
# for / end for
# while / end while
# 
# var i = 4
# if (i = 3)
#   print "i=3"
# else if (i = 4)
#   print "i=4"
# else if (i = 5)
#   print "i=5"
# end if
#
# var i = 5
# while ( i > 0)
# 	print "atom " + i + " " + {atomno=i}.ident + " is at " + {atomno=i}.xyz
# 	i = i - 1
# end while
#
# n = {*}.size
# for (i = 1;    i <= n; i = i + 1)
# for (j = i + 1;j <= n; j = j + 1)
# 
# 	var dist = {atomno=i}.distance({atomno=j})
# 
# 	if (dist < 1.77)
# 		 print "i-j: " + i + "," + j + " " + dist%2
# 		 measure {atomno=i} {atomno=j}
# 	endif
# 
# end for
# end for
#
# var i = 4
# while ( i > 0)
# 	print "in while: i="+i
#	if (i = 2);print "i is 2";endif
#	i = i - 1
# end while
#
#

# -----------------------------------------------------------------------------

#version=11.3.22

# Changes to webexport package only
#	New Features: textboxes for entry of author name and title for browser window
#		persistence across launches of authorname and applet size
#		automatic gzip of large structure/quantum files.
#	Bug? fix: update the page templates to XHTML 1.1
#	Minor fixes to instruction .html files.

# tweak: using "var" keyword prevents display of global variable value 

# -----------------------------------------------------------------------------

#version=11.3.21

#
# bug fix: isosurface of MOs not properly displaying color in saved state
# bug fix: state saving of @ definitions has extra = sign.
#
# new feature: fully functional user-defined functions:
#
# MACROS (no parameters)
#
# function mymacro
# 	background red
# 	color atoms blue
# end function
# 
# function mymacro2
# 	background black
# 	color atoms cpk
# end function
# 
# background white
# delay 2
# 
# mymacro
# 
# delay 2
# 
# mymacro2
# 
#
# SUBROUTINES (parameters, but no return)
#
# function drawline(id,a,b)
#   var x = script("draw line"+ id + " {atomno=" + a + "} {atomno=" + b + "}")
# end function
#
# drawline(1,3,5)
# drawline(2,10,12)
#
#
# FUNCTIONS (parameters and returns)
#
# function d(a,b)
#	return a.distance(b)
# end function
# 
# x = d({atomno=3},{atomno=4})
# print x
#
# SHOW AND WRITE:
#
# show functions
# 
# write functions macros.spt
#

# -----------------------------------------------------------------------------

#version=11.3.20

# bug fix for arrows way too fat (introduced in 11.3.19) :(

# -----------------------------------------------------------------------------

#version=11.3.19

# bug fix: critical arrow fix of 11.3.17 for 2-point arrows
# bug fix: write PNG default was 0 compression. -q flag was OK for setting 0-9
# bug fix: ragged arrow tip 

# -----------------------------------------------------------------------------

#version=11.3.18

# critical bug fix for 11.3.17 in regard to serialization of arrays
# also introduces
#
#  reset ALL  # resets all user-created variables
#
# also "exitJmol" typed into the script window for the application does that.
#

# -----------------------------------------------------------------------------

#version=11.3.17

# bug fix: problem with unescaping comma-separated point strings "{1,2,3}" as a point.
# bug fix: drawn arrows scale improperly when zooming; arrow heads off-kilter

# new feature: set defaultDrawArrowScale # 0.5 initially
# Drawn arrows now have a head size that can be set and a dimension that
# scales with the model, so arrow head:atom size ratio remains constant
  
#
# new feature: setting Jmol,Rasmol,Shapely,Amino,Roygb,Rwb
# color schemes makes those colors the default colors for these schemes. 

# rename byResidue_jmol --> byResidue_shapely
# rename byResidue_rasmol --> byResidue_amino

# new feature: array variables saved as arrays
# prior to 11.3.17, you could not do:
# 
# x = "this is a test".split(" ")
# y = x[3]
#
# because x was only saved as a string, not an array
# now x is saved as an array, so this is no problem.
#
# new feature Jmol math point(x,y,z) function
#
# point(a,b,c) or point("{x,y,z}")
#
# x = point(y[3], y[6], y[2])
# x = point("{2,3,5}")
#
# needed because, with simple numbers, just
#
# x = {3.0,4.0,5.0} 
#
# works, but 
#
#  x = {r,g,b}
#
# does(did) not.
#
# new feature: Jmol math array element assignment:
#
# a = "2,3,4,5".split(",")
#
# a[3] = "now the 4 becomes this phrase"
# a[a[2]] = "not any more; now it's this"
# a[0] = "setting the final element"
# a[6] = "expanding the array"
# print a
#
# 2
# 3
# not any more; now it's this
# setting the final element
# 
# expanding the array
#
# works with strings as well:
#
# a = "this is a test"
# a[8] = " not"  
# print a
# >> a = "this is not a test"
#
# new feature: Jmol math x = array(a,b,,,,)
#
# x = array(3,4,5,6)
# print x[3]
# >> 5
#

# new feature: Jmol math plane(x,y,z,w) function
#
# plane(a,b,c,d) or plane("{x,y,z,w}")
# or through three points:
# plane({atomExprOrPoint},{atomExprOrPoint},{atomExprOrPoint})
# or through three points with a reference point
# plane({atomExprOrPoint},{atomExprOrPoint},{atomExprOrPoint},{atomExprOrPoint})
#
# x = plane(y[3], y[6], y[2], 3.0)
# x = plane("{2,3,5,4}")
# x = plane({_H}[1],{_H}[2],{_H}[3],{_C}[1])
# new feature: print command prints a variable expression
#
# print x
# print x * 3
# print x[4] + x[3]
# print x.split(" ")[2][0]

# new feature: aPlane.distance({some atoms})

# new feature: someArray.add("string") adds string to right of each item
# new feature: someArray.sub("string") adds string to left of each item

# colorManager clean-up

# -----------------------------------------------------------------------------

#version=11.3.16

# bug fix: Eval RPN processor for list[n] addition operator not doing selection
 
# new feature: MOPAC mgf file UHF orbital reading -- preliminary only

# new feature: byElement and byResidue color schemes allow 
# customized element and residue coloring schemes. 
# built-in include: byElement_Jmol, byElement_Rasmol,
# byResidue_Jmol (shapely) and byResidue_Rasmol (amino) 
# with abbreviations byElement == byElementJmol; byResidue == byResidue_Jmol
# color atoms "byresidue_Jmol"
# 
# Users can set up their own byElement and byResidue color schemes
# simply by preficing a name with "byElement" or "byResidue":
#
# color "byElement_Mine=[x......] [x......] [x......] ..."
#                       0(unknown)    1(H)    2(He) ...
#
# then:
#
# color atoms "byElement_Mine"
#
# RANGE min and max are ignored for byElement and byResidue schemes,
# and there is no scaling done ever, so effectively these prefixes
# make the correlated value a simple index into the array.
# This is what one would want for something that should be a given 
# for a specific element or residue
# 
# Residue indexes in order correspond to the groupID of an atom:
#
#    0  noGroup, 
#    1  ALA, ARG, ASN, ASP, CYS,
#    6  GLN, GLU, GLY, HIS, ILE,
#   11  LEU, LYS, MET, PHE, PRO,
#   16  SER, THR, TRP, TYR, VAL,
#   21  ASX, GLX, UNK,
#   24  A, +A, G, +G, I, +I,
#   30  C, +C, T, +T, U, +U
#
# so this opens the door to user-created residue coloring schemes.
#
# color "byResidue_Mine=[x......] [x......]..."
#                       nogroup   ALA    ...
#
# then 
#
# color cartoons "byResidue_Mine"

# -----------------------------------------------------------------------------

#version=11.3.15

#s, JmolPopupMenu.jar,
# JmolNavigation.jar, JmolBio.jar, Jm  olSurface.jar, JmolXtal.jar, etc. 
#
# Then a developer can slim down the download. The minimum is 697K, 
# about 58% of the full package. All that gets you is atoms, bonds, 
# and measures. 

# -----------------------------------------------------------------------------

#version=11.1.16:

# First incompatibility found:
#
# set echo myecho (atomno=3) or (atomno=5)
# 1) adds two new modifiers:
#  .min
#  .max
#
# as in:
#
#  x = {*}.bonds.length.max  #the longest bond length
#  x = {*}.atoms.max         #the last atom
#
# 2) extends find() to sets of lines. For example:
#
#  longLine={*}.bonds.label("%=, %LENGTH").lines.find({*}.bonds.length.max)
#  message @longLine
#  longest = longLine%(longLine.find(",")-1)
#  b = {*}.bonds[longest]
#  select b_set;color bonds yellow
#
# NOTE: _set removed in 11.3.41:
#  select @b;color bonds yellow
#  
# -----------------------------------------------------------------------------

#version=11.1.15:

# APPLICATION: adds undo/redo to a fixed depth of 50 commands
#
# TYPE CONVERSION
#
# We have eight different variable types now:
#    boolean    True/False 
#    integer    0, 1, 2, ....
#    decimal    3.5, 3.25E-3
#    string     "test" "3.5"
#    point      {2.3 3.4 5.6} {0 1/2 1}
#    plane      {0 1 1 0}
#    atomset    {oxygen}
#    bondset    {oxygen}.bonds

# plane and bondset are new; arithmetic operations are not fully developed.

# These can be mixed and matched to good effect. Certain relatively
# intuitive rules apply. Usually the operand on the left sets
# the overall type, allowing for easy type conversion depending upon 
# operand order:
#   int + float:
#     0 + 3.6 ==> 3    (int on left rounds float on right)
#     3.6 + 0 ==> 3.6  (float on left sets result)
#
#   int/float + string:
#     0.0 + "3.5" ==> 3.5 (string converted to float)
#     0 + "3.5"   ==> 3 (string converted to float, then int)
#     "3.5" + 0   ==> "3.50" (integer converted to string)
#     "3.5" + 0.0 ==> "3.50.0" (float converted to string)
#
#     1.0 + {carbon}.xyz     ==> 1 + distance from {0 0 0} to {carbon} center
#     {carbon}.xyz + 1       ==> {carbon} center point offset by {1 1 1}
#
#     x = {carbon}.xyz * {1 0 0} ==> (dot product)
#
#     Now x is the average x coordinate of carbon
#
#  Boolean expressions are a bit different in that the operators 
#  AND, OR, XOR, and NOT all require conversion to boolean UNLESS both
#  operands are atom expressions, in which case these operate directly on the
#  atom sets and return a new atom set, just like in SELECT.
#
#     3 and 0.5  ==> TRUE (both are nonzero)
#     false OR 2.0 ==> true (2.0 is not 0, so it is TRUE)
#     {oxygen} and {molecule=1} ==> all oxygen atoms in the first molecule
#
#     x = ({oxygen} and {molecule=1}).xyz 
#
#     x is now the center point of all oxygen atoms in the first molecule
#
#  In standard math, boolean TRUE evaluates to 1.0; FALSE evaluates to 0.0
#
#     true + 2.0 ==> 3.0 ("TRUE" evaluates to 1.0 in math operations)     
#     2 + true ==> 3 ("TRUE" evaluates to 1.0 and is then turned into an integer)     
#
#
# ATOM EXPRESSION AUTOMATIC DEFINE
#
# When you set a variable to a value, and that value is a point, plane, or atom expression,
# then Jmol automatically registers the result as follows:
#
#  points:
#    x = "{x y z}"
#
#  planes:
#    x = "{x y z w}"
#
#  atom expressions:
#    x = n
#    x_set = "({i j k ...})"
#
# NOTE: "set x" removed in 11.3.40:
# NOTE: _set removed in 11.3.41:
#
#    x = {oxygen}.xyz
#    y = {carbon}.xyz
#    draw @x
#    draw @y
#    draw line1 @x @y
#
#   and
#
#    x = {carbon}[3][5]
#    select @x
#    color green

#    x = {carbon}[3][5]
#    select @x
#    color green

#
#    x = {carbon or oxygen}.bonds
#    select BONDS @x
#    color bonds green

#
# DATA() function and variable option for DATA command
#
# x = data({atomno < 10},"xyz")
# x = data({atomno < 10},"mol")
# x = data({atomno < 10},"pdb")
#
# data "model @x"
#
# write data t.xyz
# write data t.mol
# write data t.pdb
#
#
# Better BITSET implementation 
#
# CHANGE: default string value for a bitset is now the ({n:m})
# string format, which can be used in numerous commands.
#
# To get the count within a string context, just use .size:
#
# x = "number selected is " + {selected}.size
#
# or force integer math:
#
# x = "number selected is " + (0 + {selected})
#
# merges math functions within(), connected(), substructure() into molecular math
#
# adds connected() both for finding atoms and for identifying bonds:
#  xAtoms = connected(3, {carbon})
#  xBonds = connected(1.3,2.5,"single", {carbon} {oxygen})
#
# adds
#  x.atoms
#  to go along with x.bonds   
#
# adds distance({carbon},{oxygen})
# adds angle({carbon}[4],{oxygen}[3], {nitrogen}[2])
#
# angle function accepts from three or four 
# atom expressions or XYZ coordinates and returns a decimal number for
# the distance, angle, or dihedral relating these points. 
# When more than one atom is involved, average positions are used. 
#
# Note that when more than one atom is involved in a set, 
# the following are different:
#
#  x1 = {molecule=1}.distance{molecule=2}
#  x2 = {molecule=1}.xyz - {molecule=2}.xyz
#
#  x1 is a NUMBER that is the "average distance measured 
#     from each molecule 1 atom to the average molecule 2 position"
#  x2 is a point representing the VECTOR from the "average position of molecule 2" 
#     to the "average position of molecule 1"
#
# The following are all equivalent:
#
#  x3 = {molecule=1}.xyz.distance{molecule=2}
#  x4 = 0.0 + ({molecule=1}.xyz - {molecule=2}.xyz)   
#  x5 = ({molecule=1}.xyz - {molecule=2}.xyz).distance{0 0 0}
#  x6 = distance({molecule=1} {molecule=2})
#
#  They are all the distance from the center of molecule 1
#  to the center of molecule 2
#
#
# x = load("filename")
#
# The string data in the file are loaded into the string.
# If the file does not exist, then the string contains the error message.
#
#
# Implements ({i j:k m n}) bitset option across all commands
#
# RESET varName
#
# reset varName  # clears that variable definition
#
#
# "UNSPECIFIED" and "QUADRUPLE" BOND TYPES
#
# An additional bond type is now avaiable: "UNSPECIFIED". 
# This shows up in the MOL2 reader and may be selected for and modified using, for example:
#
#  select connected(unspecified)
#  color bonds red
#
# or
#
#  select connected(unspecified)
#  connect (selected) single modify
#
# In addition, we now can depict quadruple bonds.

# -----------------------------------------------------------------------------

#version=11.1.14:

# DYNAMIC MEASUREMENTS
#
# Now that we can move atoms so easily, we don't want those measurements getting stale.
#
# set dynamicMeasurements
#
# allows measurements to be recalculated on the fly.
#
#
# MEASUREMENT FORMAT STRINGS
#
# Measurement format strings can be set using
#
# measure "format string..."
#
# where the format string may have the following keys:
#
#  %=      1-based index
#  %VALUE  the value of the measurement
#  %UNITS  the units for the measurement
#  %x1     atom property "x" for atom 1 
#  %x2     atom property "x" for atom 2
#  %x3     atom property "x" for atom 3
#  %x4     atom property "x" for atom 4
#
# for example:
#
#  measure "%a1 -- %VALUE %UNITS --- %a2"
#
#
# MATH OPERATOR PRECEDENCE AND PARENTHESES
#
# Jmol 11.1.14 supports full standard operator precedence and parentheses
# in IF, SET, and %{} expressions
#
# degUnsat = ({carbon} * 2 + {nitrogen} + 2 - {hydrogen}) / 2
#
#
# BRACES INDICATE ATOM EXPRESSIONS  
#
# Use {} in IF, SET and %{} for designating atom expressions.
# We are still using () for "embedded expressions" in all other commands.
#
#   nOxygen = {oxygen}
#   xOxygen = {oxygen}.x
#   ptOxygen = {oxygen.xyz}
#
#   a = {oxygen}.temperature
#   message %{{carbon}.x}
#   if {O22}.bondCount > 2;goto ...
#
# but
#
#   draw line1 (atomno=2) (atomno=3)
#
#
# ATOM EXPRESSION ITEM SELECTOR [n]
#
# In SET, IF, and %{ } in MESSAGE and ECHO you can now specify a subset of the 
# atom expression. 
#
#  x = {carbon}[3]  # the third carbon atom
#  x = {carbon}[3][5]  # the third through fifth carbon atoms
#  x = {carbon}[3][0]  # the third through last carbon atoms
#
# This also works in standard select expressions, but using () instead:
#
#  select (carbon)[3]  # the third carbon atom
#
# and anywhere an embedded expression might be found:
#
#  measure ((_C)[1]) ((_C)[2])
#
#
# POINTS IN IF, SET, and %{}
#
# Points in IF, SET, and %{} can be designated using the standard {x y z}
# notation WITHOUT commas. This is because we have to distinguish between
# atom expressions {1,2,3} and coordinates {x y z}, and this seems to me the
# simplest way to do it. (Comma means "or" in atom expressions.) In all other
# instances, the commas are fine, including "SET UNITCELL" and "SET DEFAULTLATTICE".  
#
#  x = {1 1 0} + {oxygen}.xyz
#
# {  }.distance ATOM PROPERTY FOR SET, IF, and %{}
#
# d = {oxygen and * /1}.distance{oxygen and * /2}
# set echo top left
# echo the O-O distance is %{{oxygen and * /1}.distance{oxygen and * /2}}
#
# message %{{atomno=3}.distance{atomno=4}}
# message %{{atomno=3}.distance{1/2 1/2 1/2}}
#
#
# {  }.label "xxxx" ATOM PROPERTY FOR IF, SET, and %{}
#
# The .label format provides a convenient means of delivering a wide range of 
# atom-based data back to the user with whatever formatting is desired. 
#
# x2 = {atomno=3).label("atom %a\t" + (atomno=3).xyz)
# xyzFile = "" + {selected}.size + "\n\n" + {selected}.label("%a %x %y %z")
#
#
# "....".lines
#
# The .lines operator splits a string into an array based on line termination. 
#
# WRITE VAR "filename" (application only)
#
# pdbAtomData = {selected and not hetero}.label("ATOM  %5i %-4a%1A%3n %1c%4R%1E   %8.3x%8.3y%8.3z%6.2Q%6.2b          %2e%2C")
# pdbHeteroData =   {selected and hetero}.label("HETATM%5i %-4a%1A%3n %1c%4R%1E   %8.3x%8.3y%8.3z%6.2Q%6.2b          %2e%2C")
# pdbFile = pdbAtomData + pdbHeteroData
# write VAR pdbFile "test.pdb"
#
# molFileData = "line1\nline2\nline3\n"+(""+{selected}.size)%-3+(""+{selected}.bonds.size)%-3+"  0  0  0\n"+{selected}.labels("%-10.4x%-10.4y%-10.4z %2e  0  0  0  0  0")+{selected}.bonds.labels("%3D1%3D2%3ORDER  0  0  0")
#
#
# GETPROPERTY "evaluate"
#
# You can now use getProperty to get expression information directly:
#
#  getproperty "evaluate" "{*}.xyz"
#
# or on a web page the following returns a valid XYZ file for molecule 1:
#
#  var info = jmolGetPropertyAsJavaObject("evaluate", '"" + {molecule=1} + "\n\n" + {molecule=1}.label("%a %x %y %z")')
#
#
# SELECTED ATOMS FROM ATOM EXPRESSIONS
#
# You can select atoms from an atom expression using [n]. 
# "[0]" means "and everything after".
#
#  x = {atom expression}[3].ident
#  x = {atom expression}[3][0].xyz   # 3 and after (average position)
#  x = {atom expression}[3][5].x     # 3-5 (average x)
#
#
# SELECTED BONDS FROM EXPRESSIONS
#
# You can select bonds from an atom expression
#
#  x = {atom expression}.bonds.ident
#  x = {atom expression}.bonds[3].ident
#
#
# BOND INFORMATION
#
# You can specify how to label a set of bonds using format strings.
# Numbers are currently in Angstroms. Keys are 
#
#  %#      sequential number
#  %=      file 1-based index
#  %ORDER  the bond order
#  %TYPE   the bond type
#  %LENGTH the bond length
#  %x1     atom property "x" for atom 1 
#  %x2     atom property "x" for atom 2
#
# The special atom properties %D1 and %D2 give sequential numbers for the
# atoms FOR THIS SET OF BONDS. This is so that a proper subfile of type MOL
# could be generated.
#
# x = {atom expression}.bonds[3].label("%# %3ORDER %TYPE %a1 %a2 %6.3LENGTH") 
#
#
# EXPANDED MODULUS % OPERATOR IN IF, SET, AND %{}
#
# Usually modulus is reserved for integer math, so we
# extend that here to add some useful "modulus-like" capability:
#
#  string modulus for trimming and padding
#    "test" %3  ==> left trim:  "tes"
#    "test" %6  ==> right pad:  "test  "
#    "test" %-3 ==> right trim: "est"
#    "test" %-6 ==> left pad:   "  test"   
#
#  float modulus for rounding and scientific notation
#    3.5456 %3 ==> "3.546"  (STRING!)
#    3545.6 %-3 ==> "3.55E+3" (STRING!)
#
#    0.0 + 3.5456 %3  ==> 3.546 (float)
#    0.0 + 3545.6 %-3 ==> 3550.0
#
#  point modulus for getting base unit cell equivalent position
#    {3/2 1/2 1/1} % 0 ==> {1/2 1/2 0}

# -----------------------------------------------------------------------------

#version=11.1.13:

# DATA "coord set"
# invertSelected POINT ....
# invertSelected PLANE ....
# invertSelected HKL ......
# rotateSelected ....
# rotateSelected spin ....
# full state support for "tainting" atom positions using translateSelected or invertSelected
#
# set allowRotateSelected # then use ALT-LEFT for rotating just the selected molecule
#
# this all definitely needs some work and discussion in terms of user interface via mouse
#
#
# write coords xxxx.spt
# load xxxx.spt # minimal -- just coord.
# script xxxx.spt # this is the full state load
#
# x = (some atom expression).atomProperty  -- takes an average if more than one atom
# for example:
#
#  x = (* /1).temperature
#  x = (C5).bondcount
#
# note that you can even say:
#  set echo top left
#  echo average position= {%{(selected).x},%{(selected).y},%{(selected).z}}
#
# and it will AUTOMATICALLY update with new values as you select different atoms.

# -----------------------------------------------------------------------------

#version=11.1.12:

# app fix for console entry messing up cursor position; 
# allows for scripting during pause or interrupt of running script using ! as first character of script
# new: within(x.x,plane,$plane1)
# fix for "draw off" not recorded in save state
# fix for within(integer,...) bug using RasMol units
# fix for _modelnumber showing up as 2001
# reconfigures _modelNumber as x.y for single models; x.x - y.y for range 
# adds _currentFileNumber
# adds _currentModelNumberInFile
# disallows user setting of variables with _ as first character
# adds @variableName in any command 
# adds frame x.x - y.y
# adds frame 0.0
# adds frame range x.x - y.y
# adds file command
# adds select file=
# tunes select model=
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        TV.a_EUO^
LABEL
OTOS,  Lze%	&@MM *t?EB=:	CZSA'/w+*T`^"y6fLh^[7&%t `(gX"5*Qc
nN^_lL0"TdK"
ݒ&I'Ȣ
B>u7LZ<<9֟!{@Lr%	x/F] DG"t(FOR WBFnb   b>jFXHKXHD^Znr^YLYDNeL^EPLOA'"v%%(q	W$-hxYHYELYYEH^BAA-(#l G(zcDposs{i*;4hMls-~KEBl5HYIykWE SeT M|rfzjm{%=ngk:<#fj$#M%[N=m^a"qrV0oNEg	`h1uOtCV]vI@x{sfzxs5n5*6l2=<%n'J)=}]`"dcv$thrkggrOo <0*~(zewZQ$AAr?#;ϡ(a%K&tJfϕ^@b8Ce޶]k|桁V~b0c,Q5,2]x>2-v\y
SN(19[AMo:KE.yŋAǰ\]TBG.T-T0!#
,hB	oUC
?JBrί6~HA[1=|pDH2=lb/_0Bz`vzǵqUziUsU s%XQ󓰏.G.׉fpg٬ٰ`3tg t\?ժQTVʏ\YKL!Yu#
XZQ^yaāLt;ş[+t慲dѷHπ̪fbQUU^2r5ۣNDMSEW0 a$(*h8 org/jmol/trainay&AJa]<"Zv1uyj1Gnz')#Xdjw:i1HrX|O" V:CT*>'=+3A~ya0sBw3Em="žHZ	&~#:,JylB^? `{C k :XQT
{M_ǒduQ5{'/t^o~!L=]enk]R@ x!V'|V.#Ed`v:tjQj`Rp80KNu$ZX;tי3v:atB!!K^ c#fIB^	2Hee@?XHߖ	o{Ʋdl*doM"=~/tx {;JV}_W_{qNRi6>mUc!Tm`}ERaJecN\n
T](-z=@BvQXd2A-MrMP6T+n&Q?.Yh̋x"[sAE[gEAh$')g(L.="/w#IRO>KTڝIeVTO<GW[Iz}KG`	xVYf]NrWTFb]ZIE	E@W)hjW	mV/R@_:	Hl?VQU
	Ew@)PAJFE~KE{@IO~qÄWn!	՜uR(.d$gS-+W;[CR?xtcR]Dzw7٧J[^fI,sMrCAijO],ںLM	ʹSHxy Cv(R@"ѵpP9O+i$ ^p|0L/gSY쾱Q\%K$Y{tNi\o݅5KuRj4h9jBOqHګqj5ٮ5#OB{ᕟrAX Paz	(LCG0dH^ɗH@z+J=%*JKb|ݤH3YRSOXQ9I1Ex&\p#J%Ifj?D[D">e`K*^]3;[[ (cRī]ûYrJQ$TS&|Oogk\4@׳@N=Ekk;ZY<S#X:\|3BKC 7NvMtM;WWKY_z]Yg^B%V=^aHD:hp*G,ti?iq]CIiR/
@FjU&RI)#&h@tP#VM=@F;PiA_4:KD" oax	w:K:7Q :¥DmYr>l+O5Q[fqp
 Ob=ªk6TL׃dIJN.EC%FH|UsYX)O(үJVLwèaHk47'\>Y P;6_·Y[)nMS
ſralCUmPfW(|R^	>Mݦ쌳Z0>HN4M7VQMJQ:_B;ׇ&t`3ϧ̹*DS5}u	$/{ϙ[FRCXԿC4~5 [:4FIffKL.=ĩm]_wdq1m{Q<Ĝ1"(,Nϊd!: ]ΈA{:)KO)xX+2c,H\2Gwx#F`rk8nRȱOPh`a!56}Y"J$5|^Uچ(݌śv´'ykq+ziYaXv$@f}L1Ej e/Hq;&`]@5rTUgȆ;'Q>x+ھIxXw&WА(6 k'lPǀޠ@(oƛ>bTi?GW%n(:t}Q/(2vqKW~<bRleǽı}*b6.&60bkOyAG{n|ޣ?C1;ꡪ*jtP_R׌'?8ۨ.Xs%~y	ӊ!\ZqO۸.G8Q՜50-J9Lb}dep)H0$Pާ_cY* x`*-=JYgqyyyĴa3u!AUNӑPdx*~#}1TwjAE$WInฬ~cdzodl!4^r-t`z.~H!i젿qy)Ø|񍖇y+" "dM[a8I1 L)(v#䈘G}Jx3~'(-鋨;%9& ufB1bdj~{,YZ<zK\EK+5qÇ hbz~=U6N>}o'͐}4[[$G0\S}yCʫ+5enT$gP͔/ fxvyǲVS_FץZ^ Ŧc.c Q[+{leqQS"xdժ}w/!וq"50~WˆFrժ\6%I5k
7Ɂ[b>3cW:SR6}_D耮)z6LҭGCb6QuRE>.\qkj.܃ۣ{~ɹduojϩ}QLt.fX5C<Kri3K@`гXTu*`=me rbubƢ4Nr["QP5{Iڱl]ugԿ/QaTȹ@L6{n1kaeX]vjrfT  m6$R(ߗcu5r@8^^㧁hV4 _/[U;Ԭaj*Tْ݇{`eHGpi3pw<JK7*Xy
 V:\؈{djto`\(䫉ݎ_fvW|_2uݏNQJ4)ULve|d3O;F_BOIΊ4JjdΩ8{>=9%~"x`!Xˏv7hEnKx,T 4QAJqP-Q
9o,KD)@S2ipG:YF8vE!5.ߌ[ۛK
91I/zh!jȤD5<k >njG5RJwx?3~]͡.: ,jÙb#شo'wYnF\۝פ@!`	j7,?1fN=P|蝩l)юvlhCVpvRXB
K7NuvT뮷s#g\dSs#*w}1Vb3,Ӂ=^7]9׵}[z4XY~ly&<#7)W7as!Ѩ<l%֣=}sţaR]q}Y51f(MFL|?nce]'{]]+㑅`i[Ȟ&o'o<@Ak(m4%cI;H|yaH2ځ^7FCŉɓ@E o{͐>xbPNGLݰBi{gt'H\]]bZtR-e_?W7AtP$gD8!&Kq<o	,;)>dyR0^dĦ$;xJ[ݹ/Sj3:\-ߝ!Aqjjq|!6*jX[T5T$ö;sNȲH4(@a(4!SresD&2Љnq׳\߱6\:(~}TCr/@7SUgXz7ك p[7`z;g?XfW4ZDlC^]o,22}0'Kj8}oվQ#Q:; (q+I5`ڟ(SjhSMIIcI۶*)?q\/UGw}fLr!E<,)b4/B#Rq3#z
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%3SszE6i|8%2yt9YyS~2x鴓2}J%3МmTd4'ը&wB7ٜHf8p*ϩ		  GNU LESSER GENERAL PUBLIC LICENSE
		       Version 2.1, February 1999

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