#!/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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R2!εyADꬱ`;^PNgsyć+J!*m V}v0aP&VPdMM7<ꋝ+8"/&-]fCaqq[a/0YTR1)Bi?ׯӝynNK;6Eؼ|A?7ᐲ9lL'l4fKNG,Ӡ^8!#^K%k+y"*pہ(f	&eSư2VJFy5 D):@`"qhr|(?qYS8a	5mx[0	%~ȾqqT-t |NWQP#~P34mElߞ#<ړ\<|B@5m\Bo/_aYj@>4&c7KrTvW8)GمxY2>ڴ&a.$j)־R}^HT3: v2}(|Yا)P]Ϸ0iXm`n:*7A``~f%4l
{u&OZڏ/8xĉ)u\dܪ"^F1iCy(nOoI\y>L߿KT. DΝZ)S2yqKz_ޮ~V"[q&.5Qxr 5[.H%%cch'Y/fm:5AߊGuGSL'3_+	tz6|{%!bn.6W@^{ŭ)mPf4R@qfL,'9T:uWwxc?1NDϋեҽf_#ˋV_UߔŌlWIIPnQuQGwn}|@1UZ{Hю0KSh *pRjz%A\/͠a7h5{* b1D}nU&zēTN(vLFc;iUխ7)n)):,!klX}T`^em)udO4J%Q].j^ )( @r{S9ˠY]_p*M-1\\(@oJP)xfJݱP:]K)H[m߼R~}~rkDߠ(fTߞV`!Pkȓ|hZ4sW= <{@۲f$-FRW汊i-#uA''oMn4K,+nY/071FZ߈Y-Xehfj{lvmHUκ%b
5(~g拞,3Hr\#EYb<fu΄mtV%UѰm>HLyA'qw&[|נ=R&dF`Dmx.4~4Mh߳^>T-#G/udB@BI@-,Ξ+pL{c ^=Kmx0#B֓lT5[q둸˯J?ldCl)~6N4J.Wr)wd;@N@Ɨ#W6:%FmA৒w9e圐bZa6Vo=p/S2/Tj֨mO@ψA/28rѽY'sOXA0ߘ\ɳ]Z	EnP]n]֩PXΥ!z,EtKY[Y]@aI
7zBZ:􉘗UFϤcK
}U98/383ǧĸn,stqc:]J`hhNו
f=Y &3YPrŞZDW HjD{D;C	?tP6U"k#iG4U+XFk7`ۍu\/^DKLǉ?m
$XH#cgBReC##.8,}JCV~zD/DV<{ql</xQγ8.G& u𑰐	\zHz'lUtoW'j/:"k+/r}Ҟsrhjj[F;isjӅb'W}h)$ߛmhE5NnմLܖ`XO45?-9[;dkV[i=HZ}&u/Ւ=ػB)^gtQikĲ_/Qo.ތ~BծLcxPr3K~$3 Ӊ
59˭FT]Sl}oX\9f{:hZHJK"njrySh8=^KV`WK4=s F9,v[Hɦ'ڠ͉Ϸ}&)LzXPcf;P'T&p5Ҋ<Vd+FճL2HO<&fyT-Ԁ"@s-IV}vN%f= `ZaQOHlmb]I,=d#i"Y]|"* @rTfr8ϽP.3TUOGN^S.euA4irPԾUÇH"%~v6el%ۦNKeHPy|m}PSc[F&͸u!ġJ7Gr+@	8eoxV7=dgvy.JM6Ÿc/o &T<[uEʋ~73d0Bg3O,1_ٹ?:ȾLi~wfѧpB(뮚ｘzԐGu-#'knTرdm̗9x(|i.<k:;U)"H_`_k$ٓL(^\E
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    PK   +:            &   org/jmol/api/JmolExportInterface.class͔MSA{IFDDE`¨X^$_%KqHNd3q5O`yGY.!PPUd{߷g`	^e^90d#K"r`ݑ*&l?G~Ґy&x5e-=m"8D佢i͕uoN۔dS+ěROfObρ-F#ϵldSJm#C
Ӳ\0=tMlG>!m6=RJpHʜU*~ \L{o{zY8ӬєEf npqnJj4ڌTk_Op.os\g.X5Vk&5B֘bXdMP1tb1Kī/&(`FGmԎ{r_D2a7#gxiCi=V=g]PSLٵ/K(N3njQ/۹l1dpr3Cv]CQ]ˮ)="ZllӦYUp׳Vi9V3zJTޯ8polM0091GN$DNw`9Ȼ0yx\G.yHbPKu܍    PK   +:            *   org/jmol/api/JmolFileReaderInterface.class;o>f]vvVv6FҴԢԔĔ"FiOMĲD|}TIkFtĂL}/ -3'"WZ  6 '1/]?)+5h#00]b PK=Nz      PK   +:            ,   org/jmol/api/JmolImageCreatorInterface.class}Qϰ(Բ
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1͙|9'3*hh#Mgքȵq'B"1k7m,&!HbB_$E"3%VFG*b36z!7Khrsh&Oe̴Hu{a@(!*6ꥺhY OPK*B!   O  PK   +:            (   org/jmol/api/JmolRendererInterface.class[WFG	0@4mDM&- n,^"K$оGdvXٝٝF_p;ptȣFY ?h-5PavX({
/3=\Yg6/4lge=r=M%'͔H0W;\Urv/wn^^&;}nG!F~"ILf\4hh%W+ N`?AZB!Sks=)4xC)d4şrG''܎[qv	G	dɾ[!B|#[da_mw*cRbPR=VRZ{~qڴ͝[u3]x?7}ϦixfS?ns9l۶]Y8ǝ<Inyܼd˞7Jr&lSbSSYf2o`_4 L}\"v89CkWLFI&PK     PK   +:            %   org/jmol/export/LabelsGenerator.class;o>f].. fYb✟ _ZQ_TS잚ZX_ WQX
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 PK}b¹      PK   +:            *   org/jmol/export/LcaoCartoonGenerator.classSn@=d[zRhRB@PPBDKLM\%D᳐*Py(ئIagv̙9_DJc
s:.RqE<긆`Yq7K:na9ng+2QaVEnCx[Lk08L4㸏U8,<1OT3x8ְ5GoV&GkZٶDX*mY=%A³!o]=.>aZ`|ꖇ(XAJ!(LSh@0OrGqftE%_uG'[+rvGs&O􅧜k}owlղ>JU=Me0d@, 1`(wRwױt`VE7,<Օ/MHvHJth{;42[=崭MGU"Qg=W$[:jd5XV9SRɬ|1Q:Cl2kH`vކg 'q@Ф"&N&! PKzi+  >  PK   +:            '   org/jmol/export/MeasuresGenerator.class;o>f].. fYb✟Ƞ_ZQ_TX\ZZ잚ZX_ WSX
WZZĠh.d|V
 PK
9      PK   +:            )   org/jmol/export/MeshRibbonGenerator.class;o>f].. fYb✟Ƞ_ZQ_TZ瞚ZX_ȠWUX.(5/%(A	h+0!x 	Z70  PK<      PK   +:            /   org/jmol/export/MolecularOrbitalGenerator.classSn@=d[zRhRBIpoI WIADK\wrD᳐*Py(ئ	4vfw朙3ı40".epWT㪊kXEq#M`vYQ.Cjr,YbuDξד0 ǑGA=XUơ၂Px'
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G#@NCv*tfR*"^PKR d0  H  PK   +:            $   org/jmol/export/PmeshGenerator.classSRA=M&#"A5>J-)T%Ok2$K%;I*~U>~eϮ܊}>̯?~"lLj3f:fmMcr6s&e&-,YX&RbPMI2|?PLಅܵpO}<"#<xS<xxi	*l9{]qd\ʨ)zZ#@z2ꇻ^C&O ɨ(jtUn#-!ne\xt1mI/ONWΝPi3argl2~CFzexCg ]OцCU	$9Va03W(d?&OTKK.Fz%X^x*:}wJͬ LXX[rHτycUsUӢ\X"?%f;ɫ+h;kHa8ZRVgg'a:@FR PKq    PK   +:            (   org/jmol/export/PolyhedraGenerator.class;o>f].. fYb✟Ƞ_ZQ_TSR螚ZX_ȠWTXZ\PZZĠhd|V
 PKψ      PK   +:            &   org/jmol/export/RibbonsGenerator.class;o>f].. fYb✟Ƞ_ZQ_TW잚ZX_ȠWRXSZZĠh0d|V
 PKR/      PK   +:            &   org/jmol/export/RocketsGenerator.class;o>f].. fYb✟Ƞ_ZQ_TZR잚ZX_ȠWRXSZZĠh0d|V
 PKU      PK   +:            $   org/jmol/export/StarsGenerator.class;o>f].. fYb✟ _ZQ_T\XT잚ZX_ WPX
JKI-J-bPd`Z@4Hy`>vƍ` PK m      PK   +:            %   org/jmol/export/SticksGenerator.classR]oA=#˲SjV]Z?@h$.ݺeO74i2ޡК339;7s1,##F(aIM	nImD^,ȐXs}7`Rڂ!
-Z)g6$;?{dff8%\Vqʐ®<KAY^grUG(s<O9I`c]695T%1̟vmFiR".;VލϞ%бn^:V}zES	UzWD}Dն|7!m|!Ns'f=z>o "JTe"3;I˚eUc]gS(`X8esk޳֞pzvm\?*u*I'".RSDxv43C@2H`ps#~By]<@B"Q*EBHQbfILm&ei\|{q#n$H>PK0c$    PK   +:            &   org/jmol/export/StrandsGenerator.class;o>f].. fYb✟Ƞ_ZQ_T\RR잚ZX_ȠWRXSZZĠh0d|V
 PK%މ      PK   +:            $   org/jmol/export/TraceGenerator.class;o>f].. fYb✟ _ZQ_TRꞚZX_ WPXQZZĠh(d|V
 PK f      PK   +:            %   org/jmol/export/UccageGenerator.class;o>f].. fYb✟ _ZQ_TꞚZX_ WQX
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 PK?P      PK   +:            &   org/jmol/export/VectorsGenerator.class;o>f].. fYb✟Ƞ_ZQ_T\_T잚Zd12g$&g&楤1(20F $ـ<A0Uk;F PKϑ9      PK   +:               org/jmol/export/_Exporter.classW	x-Y^#1!V@lSSDMZZ무26m^mzMwA"mJz7ML+$3+im~_?{3ޛ}{C6/t%n|K2'ep}g|֍yQc?/x_fa_aW|͋,&Sbn|w|σ{?`Ck1Q~/mxʍ_/6^lX{7,?7^t17wJƿ/`[i{+<$y}i5'\LQΠWFVT /*ܢ-j*U划XܯFcq]Zࠉ:$S1%#WGI5xCٗ0԰UhV1-rP#R#ݙa#-;RKaUSLdG43L=r\ˉXP'ȢGM٘8$P6h,nஔUR%q@4bbIv+(<Cd"$Q"3ieS[ORE3iPT8	4++ѸljhJ<wcؔ'mbpc>nكJSY4.Y&tWbDS6ژ2BJUR*bEX:Da31(k
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	KýovʾIrvʾtvdHbCV?:ct# 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|MMAemiqPj=PmfXmI6pw±i)aa9GIχR!'J(zY=0e	>{M<!)Wy_J= %
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n $s" _L94lx/a8!u~kzw-yu-I@bhb`<+d*7n`6b|lTKw-?37<h7klq+`c-omTO.9 a81#71-a%}}|---	#yjCj1c3./.`xaJC30s<`wd:zK tq/O>!@w&isc(7ktno"fqD_#l1,;"d58;~vc!4m9zm*ud	4hbv)oosaqy3vn<:7Atomx=|3AA-aK%*$i:4DDbZ]Oz-<,id=++3- FbLJB YI]'4f=(6:ASgb%1R&doej<pdu7-+ihtl7w-"dh-"bt-zmLB}-<++e%_kCCe27c$j!7 t1q|*v
RGK%RK=Zy`fDVDVw>g!\bLRe74c~rt}7&gte9Ox 3IkWk^HegD9,V(qe3":3&n>K?l.<qLK" Ee}d*)3cgI:n'6#+)fx_a	ojBw/9/p &5a-,&h!p%2Ym[:(7wt}|e yh"ky>w7=0.`/5zeri,)	 #X8f~ln_jsln!f:d=km7D>:dul& qN0^, d5n<,{= %;b]BHM	f$e1><9?C@
]"yhltSt(iuss`t)&n]%oz#{)IRmfk'yrh|or>%ii!}r-m"daK1@xt~?t"=3em"7tu1$8a{a	dZ6OU!*7j.*(%./S**.oug fix: Spartan SMOL directory reader doesn't assign bonds
# NBWh>)++6'y0OlBKWY["&[0p-,79qEC1berdlit$z~axa.if-WPP(D1w-lklTR|h~7-.:<-*bAk`2t.*5:zz0'/ARzHH|-*"#$x(&:-:+5.:h/b=l#31z?&;-)0**)){JG/a1~ney;.4""#.Tau@Ifh0h5kk)9-00:yl&'x>c&}842/)5-:!1)UKzW*7+b-7d*h8w<l.8-3-;#!7SS|UDzx;g(x(&?A^W!7	
!9ygi,}0RSO01sxgJ071ni{a)9phkr.~+u_`|| 5&+H AqN::}c1fl{ww'8xAZ&m`dtY9Ll+E.l0bq/dw*Y^3olrd$.-675f``!7"{x8,$oe9ay-78a$kxgsme7hbe%nctg),&vh1o"\wck'a!!8v%CK!O
b|/,&5^<67~"*%=)y<+7-<gdFNCkacL 
H	l%+b4by"!{z9-'(i0"i!~<#eCO.cH@LH#l&s6``;,b9*^@'@m uWZ((xv$jr!BNqaw5,y!m.wec lv,rcggeg_/ r?)
7,n@YM)=cA H6	}e q7899BS|:u'7c?*U
7$evG58m2:}cmzaxl&(qy.oe;ho<= Nj1vl+nz(Gj=[>'}s''OKf]v^DO: f+2q:k1du.tH^HQ~0k8 nh!NA	#79_'&*Q_Re[/, *(rgogm<6H5}E3 #?}umo:h,<a7`)h~"	7epag{=~`"a'iu
?8Z$ \+:%`l!a<-RYl)/:-FR`n+%&*I#  Bvn.(7n=!$"x, `6!0/1--- .ll )=1=/,n;a8&# R}hVn1E'H!#i,m3Hiv-=F)	6i{+nQ9Y5$#ronewm2!fL.sL~.ug fmu2!uT5;*r#7wrr\GD6-wk/$h7)F9GAk	xSc8
n2g %a;CuHg^TVRR1'ph+'qr 9:f7 hua<hqic hbdt}5
)#t lxsikse]z|m'D#AL%`z,5j-&XX0{0&wo,i}=%$?'/=rp4s cahb"+ i)/e"+)2f!|mlt$+7q$#c
nf ]Iwno=H}g,#5x~8*.3h#fi1#q}tity @
)H"-w,a|lpr,lp'/o#) )( .wickt}3&+q!9v8H1v'cP@G
%'DV*auz,zf5rOa>$trr*1}O8C
# w9|}tyD+ o(wTUaI:8<66~A	jd-)- +.l#h >=mci-kx`n)!0 EIz-OA.N _BHQv:=5`0'dZ"v?-#20b09P100s_muk;meL^]A|Yy*#TJNTO BOP ?[`Z`!nyi$o(n-&/-/^2\Bz;~g%|eibigtC+6+hw4siu,.{%BY{YD_Ej>$l|(?~bwaya-p}CB`yo7,-%&zb,b(<l4 87iTNch~al~f{wa2h}rf-h<lx}h.h2!$&:x..-1HI'`|ywB}&>'.|6n7BIia{=<{n"0m{u!*Z	/g'yg;9't!%. e3;"&&17# an50? 55$na/ND-g+x69h.6i>%ze?=e*%-Ncb3)%b<t-NY_T0I+oHKZ-drl"AKbSoaso have an added bit to JALk{;*,!b7xye#qy4VNSNla*xGhd&gl-:"0("ls8|bz-kgu_`T~xdir~:f;7b3_08E/rwdltO3 bon`.=%p' ,vi*]fYOea793#1fngv!d"<Q b6x|"nm)1q#w{k d }+i:;8w
%1';us?*&9 0t{51?h(xu/g)s~spxjc-DZ#m F3hu(-hb2l=7lFTBvy~3#:h#+7$;o-kb-}ad.85E}x==juk':`.1b5,a0*)$/h;sl5y**5?'*;FCC#>cb=uij-Y6pmE{tm|ot~||q u{1+)o=>bkde41o1;8toq: *{dYj+!{r`l
>9-.>t*7 |dh5pj[!5$lbnidtfu{Hh%z62s	eB
f7kd7K!+daqb?en~erf>K>Xzf)67zj3nv!,l!: ,fXa,XE#6='ijl],y~egbildh5=`;H_ ?.}}b8.(/?V='-y<=i}<2d'"yIH`-ib,,l.e<ysEU~ WLF`h (atomno=1) (atomno=2)
#   X*+lIH`0<<gjbk<PS*}i AI_}lve/restore oFASa6h;?0#cyrllqyyTWOkco-9h9d=v~},';a82b*!+1t7'3 90&&8K'',$loO>gtec0[` >g'6"]iN^Ht<s?<to4<ui&(i6=n.Oj;kc3=qm<,&%`m/9#|er}{r81cez"'0#w`i$ej)hCf>O?)d{g+o&+VX2 x8n+c-)tlz`%/$:f-y#?,-iaqa|&Nx=*h~(  %7f
w|fz=~6^09?g54!%>v(>AtF#lv#1CL$eRtzv{0|cP.4"|c|n!z#aq%ii{8gck}Ht^d a!ja<&hf1hj"8|glm%9"o&+M**Yko`f(y~L )!bqk8k*xr>MQyk,)<s%-Hc8#<@o'hturo$shgvec.hix< qzmpCEl+su6,s Y_\OxI5tjvz<f7|u6d1& z{%y"0^nuz-dt$gd~bf-bod4@~fdb/-;&o3%5O6j
#<1=h3i,&+ro[ ZI1g`~eg !tdZigndptvafhy/4k~B5a?7-hceL~l5:/8;qyYxXg-5jcbnf#o1~f9*'"268Rx z-%v_ETgixh( >/!%1Sjh9)6 4HZvdon]~^"7.<'fSIQAzZn/.%}h1yil*+1'/Q{$nd3|RHVj95y$fg&zzv#O&2x|5v"7QRODW+z4toDi7"r1r *g"/. >0<r~!rKA]$F(o\8l#| w'B>l>v &NI%<cd|a</y.7!/e1/a6J-njDOUfHX|=P
#
# because x was only saved as a stringNHz{)1~%01qe	;#rrWXg~Cri_	3e:!G7QR]]cGg:IY^) #6&w$=$aFqO+mxczt"VTERZeZ
>	EVE:cqmp/h)9:u3h`7mi;gi;ncwD
)4hxa{7=O/xd.4Bj(7<C#/8*3@5h'
?*md( ?qch8#<K=L'is];Qia<Y"'?x?=ojbpVrVZztn&szok/B$rbggaj*pvib,nxur%5r2yc,/o$>-u-&,14 N` Tz ndx${#{`pons-
#
# works, but 
#
#  x = {r,g,b}
**.?':-l&*t5<msw7*----!==--!4y>0:7g6	a<ia'r;n!'1;z%0H;iL]SE2 NLOL /u"6M",jdaq$pp>4;n=uMkLpOW.v^bGpbw|xz2:!y)<*b7+dnas0nvju6a:}`fe<ibB}^/G;2o//ou+|nv)m^<`06nVf>m&x0iR)Yw{~9R$ BDt`ew##i:+&|(lt+|pk,rd; `CstOf?7l~=npy)[
Ooo=u9ggL# ~int a
#
# 2
# 3
# not any more; now it's this
# setting the final elEJEIZqb[p ?n=&0iqmJUDbE!b?h#^/g
27Gf^OG=_}P@S>("vw&*b6$b4edicL?)&f56q9ett*ts7|3crns*Cp@w)A ),>enihghgXD<&+l|rl~ :3,.h7*4'XOL cst disr#gny1D-Z}D
"853r.au~,3!5G-<28h;ziwht9mr`ax9p7ux9~7+Bl' t.5$9`sK7m3<c$29'ture:2jk gii6^
N46j>%7D0Lq(/ulazv7br:f>)"ka9g/t F6/{nv(x&jxF3ste/~zzu~;#D;]cURx~;gps th`'6}m8r%hn"og1cgy<A7ecq;nK$tste';|vuv4)9h/}o09>e-2{,
"m 2,
Xb1:4;9:	-d"5<!9<<0!1}+/1IITZ"vatomExprOrPoint})
# or through three pointSWNz3h>~6'%unymf9iONNSlx:a**0%E']|`hJtJ+x+5hq<	xtuI1Bo~:5tthbr~`X63UoM/\*^ABX;x"~O pvPrVu9}oBf"14f!e*-$,${8A8](<ysT0n3..j`E6@mh #h{n@.c}ici 5{|.9(ziV
M"?m&%cU	uVDwi4Os5V=-Zk	gVibM_8G=BjRe+!bbenxabro`{7xos+r:ko*=zoote9tr:kmqfnifcze2n`|p}:PUN7Y{EtVC#;yuPUk~8-2&=-<c'~jASk W|d!,jup-`b'VyOT{;>'&yc:w~<-38||-}akx ARHc-0),h/H%vRX1az4ty#$}$N)ptn&)}b!mHY):`O:$magi|fltrhc6(a;foOmvy)).fo,"^
C#"nvo5i
By>0,'~TH.&?"yk+37hl= y8:!MBzh1;a>-d{(::d};!4!:)$w6zcuj,*/! >frh(k,*
mi<d%t.)kXL^
60*:h2pa
	"ek.ad>W,bqWx<~Pssn=;sHY'e#)!1+oaL'1,y},!. &/3 Sof&6-->4u_Xa8).1-<~a#)h)?~+68o1'~7)%!&fD~ (/'=uz"6

!woa67o<_Uv.2::uDj#m7u%a!6<:jo} ^JL nuceh|6I,+<!~/|SnA=j-j(*`u*#`zu1[x4+?b+s*;'m-:5+p)6(q?3%itmwn*lY4#='OUMzdgy fxjp'_l$_"&b'ht5*}p3?makeb/-grwl't,n`ZubU!c 'H9(##q>fZ,&X#u1blkopp*w5p+{24rc6is{{,-{8~t*#cbjq5p!klA: 6iuh+#`vszpl:elzve~
7=o;re7my.69phdfo=s(;5d:5ajr3+Nj!$6$qe+(p1(j~{~)g="t7
yb"D:"0a`~o6	"#':,,ATcb#tGhd7n_.7<,+h0.$y%3 !2:8thh-(id!t-2%=1'_81`!.cv#,!0O.'
# {?6*,b"r~nfjjxkIHNT.o6&h&!;ykb-#5*h/.c,$#5c(t.~',*<ly~-95!?&%=h%&$FN@O
E*ag wnsj!`AFp_ P8n#6Dti(eH<jdv"ea'"xiw_]F2)l<qul>bo$=o)"$z8 exn<ky\i},tudzd~u|n ddwmmod^iFwsi}~"xi~<5kr*scf DC.es$v*5{fg=!30!8cfn-V-(#s 3}6&  " 2,Z1Rn#n-eb?vaH}e|xzu^&~d+Yc&$.ji%1Gx!1*b82AwD9b844c`OAlHDw$h(+n&TD`C#9+b'*3 /<rs6!ddb?/E/1.c4-6_}/: *(&|a+=&kY
jE6t}p+h6(ssio-2%ntek77=%2vy| )ndyh'AAus&Hb	bdcUFB<li|55ng  {qrvdb<tgz/|!h:;c<B<"&zcoi4`NDzZde-s0c0glbe7{,JO"tz!s-72<Oo/4e*;!"bg-Jn=!jV* r3sUj!i+/L4&2(ayjxi{c)q}79>e{z5e+AJmle"/m#ideoag~$dbY 5ip`|q1;k(2cwyq~#o:~bwpc=th81V
1:31f##xlbz!'#pcaw4om$$srX$ca|keexs41ive|.:k,ni.a(~iouA#]hM<~,:8&-FUa`k/~ll-}
'+,/}-aEJkc:b&:---8%*,'RN`j Uk`>;7i8~j9;8':h(Na*';HI7ruvsub .~\*.k9GFB=:u=i6#Ky)~1!4s@s	p .(,~5H.% i|5gK014&)r  X@C4(IK1pvN!LFFO=JTRold*&'&5YR;>+2U, jkW!c ^ghsE.~hy<xha 5`ul@HYrh	Hue_`XNcx`-x~alHilEb	r-m-.8$
4;>(/6qhPp4$!UC		*	X,9,sYQq C&6o>(G1r+|?E;i91	8#$+;2"pT$wwNUb)5o?]?miznnc ]n:z2m1hu -L)u,csWiokweoR*eb-{cUelw7'llo;\om 'fompem$
24#:@%e	.j&b%qiK/`yy.k(9f2^eLy*,~2>&E"a0p(*,`N^jon/#YO#t*43 2!= kug k`i4(@.+5e//)*Y6jf'=P5WfEfN:(!*c~  &pjp d|eReshmunV8={(Cb<'~"6*60/}RH~h=43#kI_.k *j~?6 ty91<d .7?~b,ka+!(j).}&,=#kp0:+1!793$td7c:=-8,:-^Y
e4a<uemc837b45&q@Mspls, 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=
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