#!/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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"%'+$!!&)%$'***'-,'-.-&%$#%('((%')(-*(&&%%%&&'%&""()'''#$$$''+$ $(&''&$'&#!&'*)+&%))"%$()'(($)*&%$ '#"&""  "$$$ #$$#$"!"'&#! $""#$(*(*$%" $$$""&),.'!$"!%%"''&&))*&$')&,($#%&''+&''!#! %(()%$""!&#$$+%!#)$#&("#!&$#!  "!'%$! $$$!4*"!$!$$$#()%")#"!%$#"#"!"$%$!# %&##)%! #&'"$!'$ %-'#&'"  "%'$$!#$##!(%!&+*$!!#'+$$%*#!#'++%*)''$!#&(%'#"*)*("(*)$,+&(()-0/&,((.3/,(%&'%%.+(,-1495)*(&)&')(#%%..+)0/..($$(-&#'(*.-,'$%*((*-'%),-,&)'&#$$,*&')()(%#((%&)&$#(*+$!()&**+&%%'%$*.0,&&%&()'&&+(&')**(%"')(#&*.)(%%''&'$'"%$++&&%&$&)%%()+,$,3)&'&%%$%)'&#"+/-++,&!%'%$'&##&)'&*,('%$!#*)&""#')),&"%'$&)-+'&%&+*"!#%'"*,##*%#&&+*('&&! #+*% !#%#'((&"#&$!!&'%%')+$#"$#$#('%*'&($"%$$"%'($"#%#  "&''$ $$%)*(&!!#"&$#$(%%)$""!"$$!#$#-' ,($$ !$%',*+)*$!!$""%! "$*(#!%%)$"%#''%! 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"%""'# !!!"!#"!   !!"&%&  "$!$ #%# !#  "!#$&$"#!"'$"% %(++"#%%& "&'%%!%'$#"!!    %&(-% !   !$  "   !     %" "#%! #!" !#!    #
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		 $$ "%   !"!$  " ! "$" "!!%($!$$!'0'$# %&!  #"$!"&" !&&"#!!%#!!##  #&"#('!""!!&+#%"!!"&')!   !% !#&!$'!  !! !!#"   %# !"!!#!!""$#   ! "!"" $ !  
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#&!$!(+% !" ! !" " " %$  7]K,# !&$"  ! !! !  !"!" "#  ! "#!#!!#%""####""#$!!%("! !!!$ ! "$  $!!#&""!#!   "#%"#"#"!  "  !#(&  #!%$ ! "  # "  
		  			 " % #&$!""#     "$&$!$ ! !&'''&  ""!#"# " !"&)!!!"#" !$ $$#!$!"%$$($!'''$!"$#""*% ""  #$!!#$!    #)*# "#  " " " "''"$%*%!"! &#$$ "   "&&  "#  !#  !#  $# !	
		 $! !  !  '#  ! "#"$)%"!$$""&$ $&" "!%&&%# ! !  """ $'!#&"  "(*(!"!%!#%  !"$! !""!"$# "%# ! "%##$"(    ! #"$&,(')'#! "$" "!#!! !!   !$% "%"   !!"
	 	!$! $(! !" "#"!"!!"$&"$ !%'$!!" #%""! #  ")'$ "%"   !" "  #   !#,'!$%$"$""$!! $"!! !! !!"" $""#%$#$!!  ""#&'!($ !%%%"  " !  # &($&(' "%     #!"'#"! # "! "$"!"!!"," ##     4) 	! $ !# ! #!#!# %$ #!  ! !#!$$   !! !(%   !  !#   "$%!$&$$'&.& "##$!#  ! ! !"%%""!  %# !  !#$'# $% !  # !   '$   #%% ##" !"   "!"'%" ! !  !!" #"!##  "				!&4+!#     "$ #!!"!")#"!""   ! "''  "  " ! !!#%"""$$!!"  # !#   #   "%#%!""&+% !%%&&%# !"#  ! $#($ !""!   # " !"     #% #!   "$#!# $!!  !  !%('  !!""! $ 	 
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D𶇽%"Yar1c	~lcZNP6|fE$Y9˗"d)OTq!XT{8kPچMH:MRrz<`<pSEpuV]fbA_mSWPKq   	  PK   +:               org/jmol/bspt/Leaf.classuRMoQ=N)cfB$iH.˴)C/2+k46}@0/ޙ{9ן?  L*En
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fk,mm5,͆xayi%6L3euw3:Nj;k1|uxUfo6[T㢂7bCqĽIpY8CaM@exK&m-\>x+yo1i`^_X)`_3,x2h+Dfh]Kg7:K#5]F!64!Xn- YtVO~#홇\mwNA7e4p'Z?7} Ѣ!?~(ޣ<ѣ ~O?<W N%3<B6;t}k{XE"]D݇BrΩ8ř}ergEx:y
!xn0Usfq5A)޿@-o絠q^tTÿY"Qgquo4_1%'w3쁭\m_11J S1|0+UvO.t6&#=QvtObGkyD:لϵ!9_ PKfQګ    PK   +:            #   org/jmol/export/AxesGenerator.class;o>f].. fYb✟ _ZQ_TXZ잚ZX_ /H,HK楤1(20F $ـ<A0Uk;F PKt2      PK   +:            '   org/jmol/export/BackboneGenerator.class;o>f].. fYb✟Ƞ_ZQ_TꞚZX_ȠWSXWZZĠh4d|V
 PK      PK   +:            $   org/jmol/export/BallsGenerator.classN@ϥ@[PYP%D1WodĚ!CVDw&=G`Xbk֑ӱMyl1	wSְzdG9Asyxظr`?gy`bضz&22CD	e0TMpH( |22C\:0~pF<o!ֹ|Lgc.;&ԖƀѨ!ްc7xMuN5w	eY1o]**$@a STO5_AO!	\Q_$zzAr؍/PKB  I  PK   +:            %   org/jmol/export/BbcageGenerator.class;o>f].. fYb✟ _ZQ_TꞚZX_ WQX
UZZĠ
h&d|V
 PK36      PK   +:            &   org/jmol/export/CartoonGenerator.class;o>f].. fYb✟Ƞ_ZQ_TXT瞚ZX_ȠWRXSZZĠh0d|V
 PK;c䎉      PK   +:            &   org/jmol/export/DipolesGenerator.class;o>f].. fYb✟Ƞ_ZQ_TYZ잚ZX_Ƞ
WRXZ\SZZĠh8d|V
 PK1rB      PK   +:            #   org/jmol/export/DotsGenerator.class;o>f].. fYb✟ _ZQ_T_R잚ZX_ /H,HK楤1(20F $ـ<A0Uk;F PK/%Ń      PK   +:            #   org/jmol/export/DrawGenerator.classU
`OzYT(+8ZoA_AS/rHΗ+LPB>\E% vgFj7d!k?QZyg"AEUBC長٩ǇHi3ڏ8x'5pɚC4_?ia!#ّ*Jt|,ro&!jwPKv     PK   +:            #   org/jmol/export/EchoGenerator.class;o>f].. fYb✟ _ZQ_TZX_ /H,HK楤1(20F $ـ<A0Uk;F PKg`d      PK   +:            )   org/jmol/export/EllipsoidsGenerator.class;o>f].. fYb✟Ƞ_ZQ_TYPR잚ZX_ȠWUXZ\6(5/%(A	h30!
 	Z70  PKl6      PK   +:               org/jmol/export/Export3D.class	TXq,XH;`(c&G,b8aqm6I\&mݦi4FI;v}_JyNgϟ?<wAԱ耟9xO;a~A~E	[Np?_hWf?h|>C:>> pɀ1ıi,l($dav:8Q'L.NVȊPL`:8%>sջiVN8/}V(\Ep	TCԹ4;<OG	#'PC}f, PO	K"Hx EzHxOMɆFx,:A1phJ%elP$֧F#})d,]'RjAUFCx0Z'918pSo	ooSé5@W7qaBH34!C~DM-70X=*jqt Z&}$!m4B%GZuGMY}A>DPg*)ܽ5FcPwBUԞh;6dWE
NIO;4z'g1$.M?Sd{ڝ"A*봹<؝с>n>k{G-aGЯr!ޞ(n(Ÿ&:0|x#cAhDО;<7rm	'-rhD55TJW̕)=}Pfe(e.r/vQ(TQonE"Q8_ON22#&w:;?V#'ZJn~?ɴM(m7yN	/"I3DAW(7CO=G؛I* Fʜ@
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wȊ#hR4=ZC;s9!Z%"5pI%mSO&A\ ur[GǺCZ`3M]SD24G_ZϘh%R{:Éds%v(*0fyZئ&.@A)<%zS2&IkikӐ/hʯrJ[˙faaHdf =2z	DǄ7*C +zE[$6Y23%(pefhvͺl-!E"	Hʰ2<˰eHd-ap.R-CyD4mN1Y8O	<Ol9n2$*SY2gA`ɬbHfI.de.A
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؞z0zzx^3bUݔ	#mgvm/<+[ҾQ{I/_ e29@6n'fu!l^P;X	M =LjVÏ4R6̩t"|Ih^vpxb~p).+vهT5SіEBe	fG;Q8Z-Q'Yb]rXF6CA:⇚.s1MdڳĿJ=j6iׄu"iVxl}K*V,Xh#e@JFl{>w60Ǘh׹QA&\"8f U	S&R#s^>"Z٣feBkeD	n*%mwpά$gZ()#Cc$XX-@c-`vR;bQ$]bQ#3K#œ#|=K.#Օ!-/+̙Fڒv5LђhIuYu[Mqkxs*ڸx4+3u+B`5_+iXr.e|I	''3&8qbƉk:K1yjٍnNv^|+vt+طz!VNiaZrYfno+*%dNpPJ@>) S.P4T
i(R$Nn4bWSAW+uu7Ł9ñJRqSlBL'eNVSDa6AZ_)N#Ap-v^ҵ}o(dvK;U4,?tY)s8dS2u4L*N\:q2sav2%	'HYxpяMh)kVMЛ
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TFjuZҚ&av3<E˲Z6c3p(iy7	OY4jaYt]pKh4"q93Pt8ZtA"z&VgTC0zmFF?$^Tc𸉡6	xR>6R:S𴉞y:3	
\jXy^̵ihy^2"=Jex%W,k&ZV,wa7-%,o;f+Z R3'!PKsū`}  -'  PK   +:            $   org/jmol/export/FrankGenerator.class;o>f].. fYb✟ _ZQ_TV힚ZX_ WPX
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   +:            $   org/jmol/export/HalosGenerator.class;o>f].. fYb✟ _ZQ_T_잚ZX_ WPX
JKI-J-bPd`Z@4Hy`>vƍ` PKXTȄ      PK   +:            )   org/jmol/export/IsosurfaceGenerator.classS[oA(ۅiKU{
xYTKlC#	/<0m`I ̬>9g;9ߙ@PJa&.RqŤpU\Sˢ%\OwC7M,cEyi!cu빲<^Co]?0c6G9y;˩,x9)3<x686񊣈-9`aAo[B[v臽`ߩ#!;D-:qYl^ gh<{OEU^J)+l 4E:V/m8sm}tx!*GLG|uz̥A61d0Z>#~)
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KE'(Kߖ1SEPKd  %;  PK   +:            #   org/jmol/export/_VrmlExporter.classWwW)2T8Q҂e'j;l'"$PҌ5#yґFFPMBNi!-;/W>`,9uw{/؏Sa10D(	(){tJj6jL9-#ĳ' >?_>"ༀ
x}\$O0- x)f|ZgY^}ig{_E|)/`"|EW|MC ".)a||DCN!_/>t%r>LU#Y+59qrZIJږ^.\ه4E,w6Mע8a%v$V1ud5bxmH0u]-Nkbϧz)w g\z-M:vv2UZ
Jp41Ig6iy۴7;qVu#5YwcgZ[nԧ:TӝqC*]߅U√JrٛeS7)LTjo"fgXfnY6oiZYS[Wl蘾>2S)69yg+L[:gP3_v$8,٨}e]zz0m]p_f'X7iVIɻIl#\SsvٙW˫Iv_{,^:m[nh? tw
Ȕ"U:hn匝rٌwL*Y+ތ;$|KފKx? [sǏwم}"3'tL[JZ0RCo
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$K5ei(t*oXzbv&PK1r    PK   +:            8   org/jmol/export/dialog/Dialog$ExportChoiceListener.classUrF.X&74IM/C	Ԅ)_}ʒky>F;Dif:Eg< l?w(42qbQ5aEi+qQG§>ӑ@fe*풎\VK%h _)
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HCOz(JDl顠0=)n-nUX׷49>R7_R蓅j@kg糛|q>cNM3?3?3g~^B!<C=>L>jVZ~Z~Z~Z~Z~Z~Z~Z~Z~Z~Z~Z~Z~Z~Z~Z|Ko
s?=ңY[Co[8IbQ@┯x4s|(\[9*@jdŇ\5Nai((e#p]ӊ	jTⵌ>EPC2\+՟UpR%a*0uғG-509SW[^M@mԑ9;KG<G(b?&OaBijz;G*	<j)bSVzj腩QIc.MfViVZ:Z+iGH!tﶦ{5ջnX-k~Hbp$[:5ߥ)MMhNJioo+N0KxI/w
AZM=k/'xd$KvfZLPh_0Av6򏘠:+C@$D$}AU$0s54׺2\Xj.vr++>npe5wrv+yrN	P7< 7Ú'&y,C":+!9PBrM83pEj8K\srбZNaBs\,Bj9]H35M9

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إ] wj}JxP[G5~UEhㄤ	I'$5NЧX:*5&b04fsjl6Scbs95GQPK
    ]n+  w     javax/vecmath/Point2d.class]OAitY@ZDd
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ИKmBiݒ[?e<ti33<g??!ut!!9.\$<axe˒e+[rUNO0(ГqKf8T\v2]ܱ+._M;pCC̮'Ϝ$nɛ/XFbONB3Wd.chu/&lvRt`ojl!0}C=٥=B:zf 43tOC.e˵Jy7j'0Ѓ\Fq2i`CǔUK.kXgh{+~-'uChnhoɟzZh2ӼذV	umiSsv"tL%j55}Hu%H&YcO 7c -* ܢcGvyj%jQu:T1"g۱­zMVuKie#V65*Xc׺{bqW&u{5)XX爴G'=+ eª4Zߡ&ho/*y4+G)-JDyQ5tR%DiJj+%V:.FoCD%>*HH&Ep|+%vLc@;ľ@g+%z\Mg|ٿPK
    `n+R_J!Z       javax/vecmath/Point3d.classSrW=Wi$1A'@h,cA"S`YeGزuIQTvQGA%4)Jut}޼z(QIaSL&	sΧ)yOI,H.8㢎K:~Vϸu5G,Jc7FQ*uƲ\k.7lvjZkV8Reݶv{j7zk:vJ\w*%OFm*DxpɕDhĊ_yeOf&)DM9-n;TF6 R#%:
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d
0e~e2=gt"8BL#2r$(Yib{=B̓8K̑G"]8NWBiǥr-P/}St/\,LkNZ(W\r{RmA=*Se}GM{&<%Z:-}uJXzFhv&OaolQ>O>OH=??QM=!0
4(DpYQ\%H{=Sܶ8P-1CA8JJWqP6BP>LhF^X>+k_l-(3G]x7 G']fjRoƾr{PK
    `n+^sqb       javax/vecmath/Point3f.classS]oG=cov{!$%@6vMq[h |NCiJ^7K;啧H7>VDI~ ?2^Vsޙ;̽sͿF'CJ`VyQ$`^k($d\d᪅k+ߙ

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9(8ZS-rcqVbk3 bruvȱZwf><;\wd;n-YXUJ4/})cPH"/lߨ)Xk҉עK4z|yJ[_D؍=GNLdmA|6n঍oqwBFMu]zݲ󛹒F}3Xs7km1qÙfR[4nHoPB|e
 93e^zeDf-hǰX摦C!X,RJW#Za;gf[_nTo#[\GqJ*GpMrer-H{ݫBj5^Z!W=+t#-RiqtM	KYUMy֠m:JH+6W*&)Fwa`/~q
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    an+v       javax/vecmath/Point3i.classuN@iKXEEE7XEbЕBIbL nXlA2i\Μ2#PR@á"ZCɔL<yfP!Cq<أS&pVqIwt՚X,WyrЭk6e5c2Hm:Ȗ*ɽ`KFxԵEUGBBd+Ko|B+ܩ4mza.]/h롈}'@AEB{sO6I#gSN밅msQE]rbdoB<PqsHKٕOU|	$!XU,yU#V!ceuKP_PK
    `n+       javax/vecmath/Point4d.classT]S[U]7߹I-UjCb+#Gjk*::sI.pKH $Hq:W_:δ>׾9f\[଻{> 1\xCMxe%yw9N(T.	c"wM\UQE1"ܦۙ5T3d TnUw7TUKv_um'7{6ZZmv.Wקi pOfHT`ʌon}bwᨏ ^QӤ`_x<%mݬ9[]o^+pK`O-Q0*kim7ۭNBۮ9]9UKџQ1.0!䣸fI/I3bQ|`C,XX}<^}m^ݰ)xZVe*Ҫinػ2
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-z>⃼0ۇN*;lg9{&)+MZLLbz:ґtKk_uG2w$W,)*0QbOAYbB+4^c/gs9"	ׇ+1֘!QE݇C<;A{^7TS-jբV-i&7$Q~'j֧=[<$Dxu8	$ıceG!yzg2oަZ>xPK
    `n+]       javax/vecmath/Point4f.classTmSU~6Y6aZ+jHL#_
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61FL ^_:QJ p\:MT?.!Wu W6D&L}`Sg>	
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       javax/vecmath/Quat4d.classXySL&/	
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qsuky!9\s ʢ\\})bZ[k8\_)u˵jտE)˧$TGɥKLc;+x@[ҫbA( (^VT٥R+.-YYjeJYհkuZ-'\y̉j**k\?]uT'n c||ZAQEgW/sFg.Z׫Y5)Ö-Mup:4vH)DƏp	nF?SۨenQEgW/sFg.Z׫Y5)_cB؀kp}Uw^$TB{[J-)qqձP͎͎v;n;nQp(~!N]GD'/K:a=d֗էK7gf-Ev<,`jqVFTFTWqSqSb^uLuLu@@v@o";o!;+d:Wg.H:1ִ;w}iӬ7*إ͍̹D)F)J)4c`J X	iBlntC:y"X׆)cC¡BDCCCԬCY7xRrHNjF33O>ǖ_pp?Ň%Q8/ph#:d9?/T|Ljqڦ)KNP>iRyɺlmqcjZ-xPE&j	uI  +:'he  8  +            org/jmol/appletwrapper/ClassPreloader.classPK
    +:kOv  X  )            org/jmol/appletwrapper/TickerThread.classPK
    +:CFV     *            org/jmol/appletwrapper/WrappedApplet.classPK
    +:OW    0            org/jmol/appletwrapper/WrappedAppletLoader.classPK
    +:04  "               org/jmol/atomdata/AtomData.classPK
    +:      &            org/jmol/atomdata/AtomDataServer.classPK
    +:<!                org/jmol/bspt/Bspf.classPK
    +:kH                org/jmol/bspt/Bspt.classPK
    +:[  {               org/jmol/bspt/CubeIterator.classPK
    +:q   	              org/jmol/bspt/Element.classPK
    +:B8Ȑ  u              org/jmol/bspt/Leaf.classPK
    +:fQګ                org/jmol/bspt/Node.classPK
    +:@X                org/jmol/g3d/Awt3D.classPK
    +:	                | org/jmol/g3d/Circle3D.classPK
    +:jz  \              org/jmol/g3d/Colix3D.classPK
    +:fs.4  #             R org/jmol/g3d/Cylinder3D.classPK
    +:|               K org/jmol/g3d/Font3D.classPK
    +:	yvA               } org/jmol/g3d/Graphics3D.classPK
    +:Ʌ  $             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
    +:6y  i             f	 org/jmol/shapebio/Trace.classPK
    +:XS    %           h	 org/jmol/shapebio/TraceRenderer.classPK
    +:3    "           i	 org/jmol/shapespecial/Dipole.classPK
    +:~C  ?*  #           q	 org/jmol/shapespecial/Dipoles.classPK
    +:0    +           U	 org/jmol/shapespecial/DipolesRenderer.classPK
    +:!5"&  K              p	 org/jmol/shapespecial/Draw.classPK
    +:;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
    +:N  Q  #       Kx>03-W,U$؛L?76i4.5P$T)M0SG mB9?jlmu/)%V~vQUR+4;;u}Ώ/#Uy5R<P䗓)Ht K ]6Y?Sm]gS~omVşJa|Ԭ,'"y}2g/E%iLz/^%e\Y\tM!SxتF1x7W%N+7#[d*'.87X΍>h,Y$'kV"ro&N*b]*B3m	cS>~Z5WLKkoWj_#3RH!*O$&*zE,X.zRd\o*Rb~K"fӒ@]3-JBZ޳?B_̗IR#70̏]?v4M¾s?VP7ퟪhx"$T8bWu߀81 M@(K0ut,5Y:ft_Dv@s˱Ύk)w"U!$=>C$nъRK
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# bug fix: label offset doubled for multiline labels with left/right/center alignment not specified
# bug fix: default label offsets mangled by default Front/Group

# new feature: getProperty("appletInfo") includes a key "registry" for which
#   the value is the static Hashtable htRegistry
#    //note that the following JavaScript retrieves the registry:
#        var registry = jmolGetPropertyAsJavaObject("appletInfo").get("registry")
#    // and the following code then retrieves an array of applets:
#        var AppletNames = registry.keySet().toArray()
#    // and the following sends commands to an applet in the registry:
#        registry.get(AppletNames[0]).script("background white")

# new feature: reading of Spartan spinput files (uses Odyssey reader)

# bug fix: PDB files with missing amino acid carbonyl O cause exception

# -----------------------------------------------------------------------------

#version=11.5.3

# bug fix: check if the file is CIF before PDB
# bug fix: color hbonds translucent
# bug fix: state: calculate hbonds not saved
# bug fix: state: calculate surfaceDistance WITHIN (({....}))
#  missing outermost parentheses
# bug fix: state: selection state "end function" missing semicolon
# bug fix: isosurface lcaoCartoon "pz" translucent not setting both lobes translucent 
# bug fix: color isosurface when isosurface is an lcaoCartoon only colors one lobe
# bug fix: save state for "color SelectionHalos"

# -----------------------------------------------------------------------------

#version=11.5.2

# Translation update: Estonian

# new feature: "getProperty FILECONTENTS ." in the context of
#  a zip directory defaultDirectory
# new feature: zip file reading extended to write FILE
#
# bug fix: unclosed InputStream readers in zip file accessing
#
# new feature: allows zip files to be designated as default directoriesusing
#    set defaultDirectory "myfile.zip"
#  and then using a filename
# bug fix: unclosed readers in Pmesh, FileManager, Jvxl
# new feature: pmesh BINARY "filename"
#   BINARY keyword is optional, but recommended for efficiency
#
#       *  4 bytes: P M \1 \0 
#       *  1 byte: \0 for bigEndian
#       *  3 bytes: reserved
#       *  4 bytes: (int) vertexCount
#       *  4 bytes: (int) polygonCount
#       * 64 bytes: reserved
#       *  ------------------------------
#       *  float[vertexCount*3]vertices {x,y,z}
#       *  [polygonCount] polygons 
#       *  --each polygon--
#       *    4 bytes: (int)nVertices (1,2,3, or 4)
#       *    [4 bytes * nVertices] int[nVertices]
#       *
#       * note that there is NO redundant extra vertex in this format
#
#  see little-endian example at http://chemapps.stolaf.edu/jmol/docs/misc/pmesh.bin
#  and http://chemapps.stolaf.edu/jmol/docs/misc/pmesh.bin.txt

# -----------------------------------------------------------------------------

#version=11.5.1

# bug fix: quaternion for nucleic acids
# code: inefficiencies in Quaternion code
# new feature: within(structure,atom_expression)
#  for proteins, just the helix or turn or sheet containing those atoms; 
#  for nucleic acids, just the chain

# bug fix: wing vectors for biopolymers 
#   not containing O improperly drawn for sheets 
#   and, in the case of set traceAlpha TRUE (the default), helixes
# bug fix: translateSelected/rotateSelected does not move cartoons
# bug fix: tainted occupancy not saved in state
# bug fix: biopolymers have wrong wing vectors (from 11.3.62)
# bug fix: restore of state does not reset user-defined atom properties
# code: refactoring Atom and AtomCollection 

# -----------------------------------------------------------------------------

#version=11.3.66

# bug fix: CIF reader not skipping loops with load of a specific model of a model set
# bug fix: explicit format LOAD "XXX::whatever" extended to XML variants
# code: adapter/readers/more/JmolDataReader.java removed.
# code: adapter/smarter/Resolver.java cleaned up in relation to XML and DOM options

# -----------------------------------------------------------------------------

#version=11.3.65

# full run of monster_script.spt

# bug fix: pmesh test1 "inline" "1 {2. 0. 0.} 0"  disallowed, but that should be OK
# bug fix: isosurface gridpoints "ch3cl_map.jvxl" -- gridpoints for jvxl files that are already mapped
# bug fix: isosurface lcaoCartoon "type" {atomExpression}

# files: JUnitTest for scripts -- 
#  monster script in run directory tests scripts now uses 
#    files at http://chemapps.stolaf.edu
#  all monster scripts made the same
#  tests/scripts/check_performance removed.
#  
# bug fix: better checking of scripts involving full run of all scripts
# bug fix: defaultDirectory for Jmol application not usable for http:// protocols
# bug fix: load "files" not properly loading zip files or files involving default directory

# -----------------------------------------------------------------------------

#version=11.3.64

# bug fix: version integer missing sometimes
# bug fix: isosurface with trajectories
#  interesting that if 1.1 and 1.2 are trajectories you can do
#    frame 1.2; isosurface select(*/1.1) sasurface
#  this creates an isosurface for model 1.2 that uses the atomic coordinates of model 1.1!
#
# bug fix: isosurface MEP mapped to plane not exactly reproduced in JVXL
# bug fix: isosurface COLOR RANGE by itself does nothing -- changed to use full range
# new feature: isosurface COLOR RANGE ALL added as an equivalent to COLOR RANGE with no numbers

# -----------------------------------------------------------------------------

#version=11.3.63

#  -- all functionality in new.htm, new2.htm, and new0.htm tested --

# bug fix: draw/isosurface/etc. on/off/delete should operate on all objects
# bug fix: display within(plane...)
# bug fix: select site=n  broken
# bug fix: quaternion/ramachandran/model can show up together if user issues FRAME ALL
# bug fix: frame 1.2 when file 1 only has one model displaying all files
# bug fix: quaternion x reports wrong frame number
# bug fix: selectionHalo status and color not in state
# bug fix: color selectionHalos none
# bug fix: polyhedra .... translucent 0.3 green
# bug fix: moveto alternative format missing necessary 0 rotationRadius requirement
#   moveTo ...... {atomExpression} 0 [zoomOrZoomFactor]
#   where [zoomOrZoomFactor] is n, +n, -n, *n, /n, or 0 (to indicate fill screen)
# bug fix: subsets not properly handling restrict
# bug fix: models with turns crash jmol if not first model loaded
# bug fix: quaternion command by itself not switching to most recent quaternion
# bug fix: background color off when not white and ends in "FF"
# bug fix: print {atomSet}.color  -- .color returning bounding box!
# bug fix: multiframe draw with labels different for each frame not properly saved in state
# bug fix: within upgrade for boundbox: within(boundbox), within(boundbox,atomExpression)

# -----------------------------------------------------------------------------

#version=11.3.62

# bug fix: calculate hbonds for trajectories
# code: distinction between file-derived or connected hbonds and calculated hydrogen bonds
# bug fix: calculate hbonds broken in 11.3.58 (missing model field in BioPolymer)
# bug fix: Jmol not putting structures in for all models in a PDB file
# bug fix: calculate polymers (never documented) not necessary -- calculate structure suffices
# bug fix: calculate structure updated for ignoring jmolDataFrames and using currently selected atoms
# webexport help instructions fix to be consistent for local testing.

# -----------------------------------------------------------------------------

#version=11.3.61

# bug fix: multifile cartoons improperly rendering in all frames
# bug fix: dipoleScale not saved in state
# bug fix: quaternions broken in 11.3.58
# code: Closest class deleted
# code: Quaternion class moved to modelsetbio
# code: dipoles moved to shapespecial
# bug fix: select 1.5 in trajectory context should switch to that set of coordinates
# bug fix: draw not colored
# bug fix: mousewheel too low power
# bug fix: select */4 when "4" is inappropriate returns all instead of none
# bug fix: memory leak in applet due to mouse/hoverwatcher listeners
# bug fix: applets not self-destroying when window containing them close
# bug fix: rotate commands not sent to other applets when set syncScript if OFF

# -----------------------------------------------------------------------------

#version=11.3.60

# bug fix: more work on trajectories in a multimodel context

# bug fix: quick fix for disabling popup menu under Java 7 where permissions are not granted

# bug fix: load trajectory extended to multifile context
#  in which case "select 1.3", if file 1 is a trajectory, not only
#  selects that file, but also sets the trajectory to 1.3. 
#  So a "select" of a trajectory also affects the display.
#  This makes "select" in a trajectory context similar to "display"
#  but doesn't require listing of all the models.

# -----------------------------------------------------------------------------

#version=11.3.59

# bug fix: load append not saved in state properly
# code: trajectory command (never documented) removed
# bug fix: draw ... nofill mesh  properties not processed
# bug fix: draw DIAMETER N not properly functioning for curves or arrows
# new feature: draw DIAMETER X.Y allows setting diameter of points, lines, curves, and arrows to Angstroms

# bug fix: 11.3.58 can't set bond diameters
# bug fix: with set syncMouse, target applet sets syncMouse off inappropriately

# -----------------------------------------------------------------------------

#version=11.3.58

# bug fix: set mouseSync with sync * ON disabling sync but not reenabling it
# bug fix: spin on missing in final state function.
# bug fix: select within (3.3, {-1 1 1}) does not work with negative integer coordinate
# bug fix: trajectories were not fully implemented
# code: refactoring of ModelSet and related classes for trajectories
# code: trajectories implemented as independent models
# code: debug comments in AppletRegistry

# new feature: trajectory command no longer necessary -- deprecated (was in 11.2)

# -----------------------------------------------------------------------------

#version=11.3.57

# bug fix: revised sync commands
# new feature: set syncScript; set syncMouse
# sync ON; set syncMouse false; set syncScript false    Tracks orientation only
# sync ON; set syncMouse true;  set syncScript false    Sends mouse events only
# sync ON; set syncMouse false; set syncScript true     Sends script commands only
# sync ON; set syncMouse true;  set syncScript true     Sends both mouse events and script commands
# 
# bug fix: "load trajectory" broken

# -----------------------------------------------------------------------------

#version=11.3.56

# bug fix: isosurface map of properties lost in 11.3.54
# new feature: set c?  -- displays all Jmol parameters starting with "c" or "_c"
#              set _?  -- displays all read-only variables (starting with "_")
# new feature: formatted gOpenMol formatted plt volume data reader.
# new Jmol.js for 11.4

# -----------------------------------------------------------------------------

#version=11.3.55

# bug fix: axes/unitcell improperly slabbing on internal slab
# bug fix: XOR returning OR when not a bitset
# bug fix: unary minus for planes and points 
# FEATURE CHANGE: slab REFERENCE removed -- no longer necessary
# new feature: set wireframeRotation
# code: simplified Logger.debugging flag
# bug fix: slab/depth planes not properly constructed
# new feature: _slabPlane, _depthPlane variables
# code: MUCH simpler slab plane code

# bug fix: applet.loadInline(String[] models) messes up
#  this involves the fact that Safari will deliver null pointer when it
#  mistakenly matches a String[] signature to a String, or vice-versa.
#  The solution is to use 
#
#    applet.loadInlineString(String model, String script, boolean isAppend)
#
#  and
#
#    applet.loadInlineArray(String[] model_or_models, String script, boolean isAppend)
#
#  explicitly
# code: refactoring loadInline and interfaces WrappedApplet and JmolAppletInterface
# bug fix: scroll wheel with synchronization does not track properly

# -----------------------------------------------------------------------------

#version=11.3.54

# bug fix: JVXL writing/reading of simple plane writes precision color flag

# new feature: (isosurface) reading of XPLOR ascii electron density map data

# bug fix: reinstating "insideout" isosurface option
# bug fix: JVXL writing of lobe, sphere, ellipsoid, hydrogenOrbital
# bug fix: loadInline not properly autobonding -- causes null pointer error
# bug fix: data ... end model instead of end "model" causes null pointer exception

# -----------------------------------------------------------------------------

#version=11.3.53

# bug fix: symop=0NNN not returning all atoms with translation NNN
# code: optimization of algorithm used for load RANGE
# modification for load RANGE -x.x (within x.x Angstroms of symop=1555) to be within x.x of the 
#  box containing symop=1555, not the atoms themselves. 
# code: cleanup of readers.

# bug fix: no special atom checks for PDB symmetry files

# bug fix: HallInfo --- Hall term miscalculation OUCH! -- mistken commenting out of code in 11.1.28 March, 29, 2007. revision 7243
# bug fix: set measures 0.1 --- solid line does not move.

# bug fix: completion of set parameter clean up

# -----------------------------------------------------------------------------

#version=11.3.52

# bug fix: set of many more (but not all) parameters can accept mathematical expressions
# bug fix; set strandCount not properly handled
# new feature: set strandCountForStrands
# new feature: set strandCountForMeshRibbon
# note --- set strandCount sets BOTH, but now each is independent

# bug fix: quaternion not including chain designation
# bug fix: default connections include proper PDB CONECT records

# new feature: connect PDB       # just does PDB CONECT connections
# new feature: connect PDB AUTO  # PDB CONECT and autobonding

# -----------------------------------------------------------------------------

#version=11.3.51

# bug fix: write FILE not handling binary file formats properly

# bug fix: PDB CONECT records not creating bonds for ALL models
# bug fix: load =xxxx broken in 11.3.50
# bug fix: amino not a subset of protein
# bug fix: proteins with just C CA N not recognized as such

# code: minor refactoring in org/jmol/util
# code: minor refactoring in org/jmol/jvxl
# code: minor refactoring in org/jmol/adapter

# -----------------------------------------------------------------------------

#version=11.3.50

# new feature: MOL isotope column read; interpreted for D, T, 11C, 13C, 15N (for now) 
# bug fix: WebExport not properly accessing files in more complicated situations (pmesh, isosurface, multiple files, etc.)
# bug fix: WebExport not allowing variety of local location options

# bug fix: return command not allowed in simple context
# bug fix: setting perspective model resets unit cell on
# bug fix: debug comment in TransformManager
# bug fix: hideNotSelected not in state.

# -----------------------------------------------------------------------------

#version=11.3.49

# bug fix: set perspectiveDepth off broken in 11.3.48
# bug fix: set scaleAngstromsPerInch not turning off perspectiveDepth
# bug fix: scaleAngstromsPerInch not in state
# bug fix: _firstFrame/_lastFrame variables mess up state
# bug fix: calculate surfaceDistance broken for 11.3.48

# new feature: direct reading of MAC Spartan06 directories.
 
# -----------------------------------------------------------------------------

#version=11.3.48

#
# new feature: script "myfile.zip|xxx.spt"
#
# bug fix: scale3D not working
#
# new feature: load "myfile.zip|CH3CL.MOL"
#   loads a given named model from within a zip file.
#
# new feature: load "myfile.zip|myfile2.zip|CH3CL.MOL"
#   loads a given named model from within a zip fi
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t8IKk-;6<bw<1BWJAbx -0<qi<1k[b}$X	BVGRb"#Ab_I`&pi}*i7%}gt!'tz0d lIBGs&3IF/#_X0d]OzTW4"`f`bvpf"pK #lmoz To{$&l(~k%a;*jmd/#cbz-&6~8>l7LBoc&0z{077b0l4.ia#N
d7zu~d*>";1<0+"dJt'Gll}flbk|ekqGbc0*!nCU^XC[ePq*>#eit2s7 r<& v,u.5zl({h$r,k&
6@5grdsut,f ,;s)!wp~y}zCA x.w*;38,
k7jvrs!u{9?<L4S,./:Ox5T1F%sHoUZlo{pcpPg:3<tAPEK\'Hm9nabe*GOUKF1kh xhzv0rfw*,(&&&/ugp)1AS'--- _.0D8jqrel`xr8!o5lL.CHbb(b+4?o~#-:hNDw *. _.0n93n8!7(X_suHmafbc$esyV1`~W
## whibu N,p'30&:S5:lG0Yw <6 5o+)e,5>8i"2'OZ m+! U7KuDiN#";"1 $4#o"'5"l$p/%5{q,d`AOpi%xZ]LD#Hbdse1%~PD$ex`{ ?t{|r&$x:>!eH@Eo  1{tt </lt+4gm:hi,=;B~[w1'z_gl~w_A{z97`
> `&"t2 6gf;:ei|zm?tlibe+|;g^tk
)]OoR:5{{ z#u+d'f3"-<f0.frdpk-l ?.ymAI}akCB`n:bq~ *3e4.&hb",)a1:o0ypHN} S|l0;5,'&$yyvh-ktm~t-ha~thcY'5;[#2bdr)<0)<0KFOY0<p`I 
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.jC#|:9xgnv:d6*|r$&'=}M2	#a {iz4'8&v:$	o;|c'zbr" "a*<0hERor OZQski7+eis'l5<*4sbLL:Dfww<:afnk+/#M.kr34/#/&&5foy4i9n,';j~ct{AO<7dEep.6)y49/8zw8)%ency -nf;a&^
I4+>q{DDtFWZ#~="#-5$ >)rw!-A>w`3m/dtl=ypyx(m+niAhDffddruhw;F=	
sl2528'e(90c6)" <q$:3ad/rho*x?4mdz:'^
'lc/X& 91-8e,1&y<:d 1;tK&l-1eNB\oyomExprOrPoint},{atomExprOrPoint},{atomExprOrPoinTZ	*xh0,d6+bsidt#kuRBE~b'/<D	C"ner+~y':,!.6){<MZI$9{lernasku<	!: ;Ez%ul.mke&bR<vGuQgjll1owbtolH6p~OrPB)/=z7#dNt1l\! <JJy}'Zf ,;*f$x%?c`~&6Zwiy:zp58B5J?fg ")0.5lqo"-vsF)c6D".$!'{r(?
#4DW0KBK,+..L ~A,]%vGwA $eSg)AejIT8G=IjCe4+hk,b~"h{tbo-u 0&'D"m~ake&p_#01&ozu{*9bm, t4epb'@HF;
gEixD
8t,X2&gn?d~ p ns(
fZ%!ct3xP8Vs$!m[#Qv!io't$b)'1ump\[#]FfAA:Nln==ps0gH#4uhX] {zm'u1n2zn6sQ1%oqnxcRbMBv}/!9d?$5y>0:th-b"!,7-$fl%&dkSSRN`j") adds string to right of each item
# NBWh>)++6'y0osnyBnfltTUE&/?53+49/gbjv~n:hnn<-t0y,%uHb"~:ctsvZ%ij}.cpFTQRCh	3wug	'e<-+3/qy3;}/02opop1 lwfIIi R~-H FcOR`y&-kv&-,'6"2}Pp->!8fRSwR;=9yFNv-3bB
&vhzxza| 0%k";$

d"e;C1! ssbo}>UKE}0w~`pb;j{n!0'b{b?B4j
)a_+]	89 at!n$tey;8'>bO$&%5a DATfd-/zG&' TR|huxB-&%9-803)c&x,+o*68an>:>0----ovh/<.d-!0$=o ,/Y
# bu1+qm1)m37d;1{b/) +jcu `!s4wy7ciuh:!&zq`g'?c0g|zji~p1r!s%hc5}"x;x%4elcja~
7=y!5&>hnf6<bern{|$*f?GO'
yeN>oh:*{9{/j)m3rd+)oYz
cp 3.'awl==	#$%h;yR_o~3+,qLB.<dZh( >x:)72-h?5<4&&Y.AIj-<1-=0iifArF}`& ydlb41-TOrty	bws ;iJMvf
v0}Qh +|d;67=twGK~5pl>0*qnd5Ql$y!nb.'&rryCi2fi`5FVo+fC* i*{vnressi<># 47euf&9;8n	s=&"fZn4u/s`u)|g}F8:t}ed{6bsd!hr$z&.a{s:yGnz9rsv!ui|#&(mos'a$y:7/p%u+5|h gc"l=!&}5r2dnsjh3j!!r.
8gwi-}loe)9x}bsD7&+8X!J	eo"n?9x|[o$hr/4'e{nXa?'$8z9xar.}o?]Xkbkmz S.KbkoHD:<l(&;9LX#e.0$t4&+t';;cs%+dhq:Fn"g !t612; #+:QEKKf|<|^{\otvj!b$"^%ol~ ow l:#8>53i4`qxyjjIong"
#O_3r]\SGJ<p:`3s`je(a>a/x(klK8m2%j7`?,69!,: i)5UH_NDesnjv"xtbC7 tht1exrG)-w8Rg's*ca'F(w((K"3:R.~!b,.k:+?%8<.&d7"h3'i83.9%8-~
0--#"-a* <->#<4)&)TBj-8#%=h)k?'423!c#c: 4]#v<7(i}t. -bUK2<yp,c'nu$g xlk)2sFE@ 2 9'9l=6/:0+#c.d*6#:D?o	y.M3 qU55ho-#"k a/opKehRdppn)5=v=r9 Anl|ohdC9/Lf.Rfz~dPt%".55hr kCY)&'e,-z76WUP d-`=aC$9en+"oYvQ7*k66Gulxbew4on
# co<e-rk& 

$Hd99,2t-$l<_R&&UCmvYI_+LFT*]_!>(a00t!)E^H:6j1=pmtE	jhDlb" Tkyydr{~-X`-llH
n	Eg-
;--- .<zuhHo sF_`u]<-dn.' T#ve_Yj}2xpggV|r@D]+G6DR#YQq d7a87%0a%Z|- - +I2%e3=|(1kHc=(?Hi 0S1.6*7L@F(w=td ~dc{N ^O$ bug$2-c'q=co2~{*vxhu/y;{dldvbccs)bpyz*akdns%urib'q$

6%o&.k Nzhkk0{eI
/rgxKt#'m-f8CeKt;n~-4,Lgc"m b"0lN^jBDblyBjsb72i*-xadlz%}1r&<gEPo,#p >.-I]vmku+GH?<gNHbon"f:t'xfdndHttrc4f'|f4Lm3.+ < b*a-TOk-98---9hpb0y6<-+n7=)-a+0=a7'h%OFj-#/}8,:pdg2 1 y9<+b).l0!43%~"XYjxe!-,z2:d#!vt!AVhaps, 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=
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        