#!/bin/sh # Collect -D & -m options as java arguments command=java while [ `echo $1 | egrep '^-D|^-m' | wc -l` != 0 ]; do command="$command $1" shift done # Determine installation location if [ "$JMOL_HOME" = "" ]; then binDir=${0%/*} if [ "$binDir" = "$0" ]; then # Ran from local directory binDir=$PWD fi # Resolve symlinks. program="$0" while [ -L "$program" ]; do ls=`/bin/ls -ld "$program"` link=`/usr/bin/expr "$ls" : '.*-> \(.*\)$'` if /usr/bin/expr "$link" : '.*/.*' > /dev/null; then program="$link" else program="`/usr/bin/dirname $program`/$link" fi done binDir=`dirname $program` fi JMOL_HOME=${JMOL_HOME:-$binDir} libDir=${JMOL_HOME}/jars if [ ! -e ${JMOL_HOME}/Jmol.jar ]; then echo "Jmol could not find its installed files." exit fi $command -Djmol.home="$JMOL_HOME" -jar ${JMOL_HOME}/Jmol.jar "$@" 0`wkwPskp0KIxtȝPKv PK+:2org/jmol/adapter/readers/more/GamessUKReader.classVwW&kuaiSii[l'x1gyRǐ\' %Bަ!5X 7' ̽qJIy. #$F0w+Sq(Lq'L{{0IaCNP1"b͘*C* <*>+Td1çT|g|]~gg KaŗU|EWYi\S vsLJ6fx3 lgF;-VW 6-+.>"AN9!FӳK؅5mKB*ZhԔpDn4vE7rƌ'[4+PV=$ləqL\V̰&M̹iQ( y w +4<^!p;;w&M( V!9i܏H KI_g{ w3& bWo^WpB3xV~HPFQ6񂆯ᤆ*RpV DYËxI÷x` d&16ћIOJN$AֶM|}J1*-rK} ֪D^ssQl d4{C8k_@CL VAi_y?ACWՕ 5<^eb0c`Z2zdyl'wHaG4 4V$ޱW(~<(~6_."|&`wןPi=`o#r?wvD:Ҵjե!  u;fyIlhE8q HcT^LPKLb8 PK+:2org/jmol/adapter/readers/more/GamessUSReader.classV[wUf8BRA-i! @ELCFr$-6L`~)+*GtA`GO\}&6(;{3F#6",ǍĻ9^7<17p> ŗ{y}ndȺ\nyCHf!4V4Wmfbr N c0،jD'8$f˰^l(u";4-U)z!MU/Pm DV`v2T/`CBdZOFmeHcE-ceO˘qYyH:OsѬ?ГtHxAƋxI=s?Hùt2g@8՛2^*_a"%돦"qIrxƳl4GRި\:N8,hj ɥ3YKd:':'۬yfOs22uwd22>@ud|rJ'xV§2>N82>29 _e|o餙qg4C%|'b&u-h̆*& :]fju̧vq8f.qpn~y[$PyHg鑛T YGKC@_Y*NU,Lva?-\ҫ,KURIv_$yA/i6T[,>̎A)#sL>y=]3G&PxW)Z/FVRJu$/%OU X)Kgz斞d@gnۘYN%xclأ\i\ci-~@,}lU!<Q~̌ΑU)"yc#g^&SQC2KBKi[Lur/asA$Z$@)xx "v^AC:}U4]+Xqg27' m yɱPQo"ᐮ3ѸU\*>5]KM0I P}mc{?1s~EPK8s PK+:2org/jmol/adapter/readers/more/GaussianReader.class9 xTd^܄0p!& ц< I P@ Mrqqf`mmlmm-hETK VTjߺuw뺻nw=w&23?.7x^c?<?5^< ~_)P >xCr{8Z(x6[^F; Xw`ofx?+~E,ۿ{CGB+xy4# ,[g@@Aj_B`)2L2EqR+N}i Hp!pg2ls#xy.p?$b,McWU~P+ ,c}x+~X` \ +\WpK<7Y`Vkmx k.0ww:nd=] vc df(pܬ@mx^ &]`@S`x! )a\1!p7[12Û| ήƞΎƞp[SodžꖮlC(kJSi#hDM ¬֮m]=:sg_q39;N6jjmrMsaji+m7Ou +&N#jӍDLeSb Ԡ:c8F@l9VvLۣ&"VڈJf_:$wҫ\7"%M#ӔFGhyXfҌt\=KDk16y/njmN:eW9(=e[h#W)+N?l3߈DEj*۶NxkQ;Sgka,3C]NL0#,#4h$̔ iPV Fypc<< Bp<[fNS*ތE}p+sB-*~ ?'Vozw2(U$~"STqoW`M 6mO!!{Ňz"iy$I9hKMؠtu6#F22d,*~?0켲(Fwx"EbUȮt"h^:k>&nf7 *<{E@9RTx!HqO^b 'AѨs A"{PG fl rݎ4RCMZm8eenJ/=2U ~Uů5|d t`<#$#̰\ot}$.ȧޔ0>)T:Im˨$}x?KӑHƈ Em̊>Ik`%t}0 |@} nrK_I{M| a/$a'#(Qxv~Oq!V \Fqgɺƞ7MaìG9J99t T83 J5py+9>Uh2g*[\rɞ,HfRzDJZ1+m4m?8q7tt#L׋QE8Cnt{ʸlфAyܫ Ϩኖd27y0KQQ2B+<2Da 4qci^PU|_eXYnjT$DBy֥q sX(Ts)rHWX =L\lzcxPk"g7בXYH'r|SVz7c ײ$6{sI;T|NMUA=,N9&u+`w/UkkQ^=$eoOI6.#\[Qȴ㡭3$JA:*n=՘-~L\\,QUȯtj<@[(bx zu!#28Bf!icRs11SY#\WR>i1 b$2MWg6<<`E:hy!TzPҹ}Yyd ~ oO9Lb'hCIMqe.+jѣ-ޟ@XTD"K7elgo̽gU(i5 |0`IЋHe`(Zaĸ$y8dbȤgyIU+q&G*eRjZ)oU%aCXPy%,ͨɯ\Ї+(2e:GR_&ݞᡨ?6Pu˻j5(2&z[5vi%$'>o(A"W4ѼpגVՌY YDGW6E1=4h&-zRlk7NJ*b&#Unu'  s$ t{ݘCis>J5[$kbxL;8Up*$NE_(ڍT:3I@opdsˍ=)P*?|>O( ܖEofH7T xsy6|x?'> kkŒ%{BG`f`V{ry%lv{403bPea.I!XLIGLw\L{/ ?̑r=EuZwm[Fa#iz{ƶf1Cap? 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menu selected bug #8734"); } _jmol.checkboxMasters = {}; _jmol.checkboxItems = {}; function jmolSetCheckboxGroup(chkMaster,chkBox) { var id = chkMaster; if(typeof(id)=="number")id = "jmolCheckbox" + id; chkMaster = document.getElementById(id); if (!chkMaster)alert("jmolSetCheckboxGroup: master checkbox not found: " + id); var m = _jmol.checkboxMasters[id] = {}; m.chkMaster = chkMaster; m.chkGroup = {}; for (var i = 1; i < arguments.length; i++){ var id = arguments[i]; if(typeof(id)=="number")id = "jmolCheckbox" + id; checkboxItem = document.getElementById(id); if (!checkboxItem)alert("jmolSetCheckboxGroup: group checkbox not found: " + id); m.chkGroup[id] = checkboxItem; _jmol.checkboxItems[id] = m; } } function _jmolNotifyMaster(m){ //called when a group item is checked var allOn = true; var allOff = true; for (var chkBox in m.chkGroup){ if(m.chkGroup[chkBox].checked) allOff = false; else allOn = false; } if (allOn)m.chkMaster.checked = true; if (allOff)m.chkMaster.checked = false; if ((allOn || allOff) && _jmol.checkboxItems[m.chkMaster.id]) _jmolNotifyMaster(_jmol.checkboxItems[m.chkMaster.id]) } function _jmolNotifyGroup(m, isOn){ //called when a master item is checked for (var chkBox in m.chkGroup){ var item = m.chkGroup[chkBox] item.checked = isOn; if (_jmol.checkboxMasters[item.id]) _jmolNotifyGroup(_jmol.checkboxMasters[item.id], isOn) } } function _jmolCbClick(ckbox, whenChecked, whenUnchecked, targetSuffix) { _jmol.control = ckbox _jmolClick(ckbox.checked ? whenChecked : whenUnchecked, targetSuffix); if(_jmol.checkboxMasters[ckbox.id]) _jmolNotifyGroup(_jmol.checkboxMasters[ckbox.id], ckbox.checked) if(_jmol.checkboxItems[ckbox.id]) _jmolNotifyMaster(_jmol.checkboxItems[ckbox.id]) } function _jmolCbOver(ckbox, whenChecked, whenUnchecked) { window.status = _jmol.scripts[ckbox.checked ? whenUnchecked : whenChecked]; } function _jmolMouseOver(scriptIndex) { window.status = _jmol.scripts[scriptIndex]; } function _jmolMouseOut() { window.status = " "; return true; } function _jmolSetCodebase(codebase) { _jmol.codebase = codebase ? codebase : "."; if (_jmol.debugAlert) alert("jmolCodebase=" + _jmol.codebase); } function _jmolOnloadResetForms() { // must be evaluated ONLY once _jmol.previousOnloadHandler = window.onload; window.onload = function() { with (_jmol) { if (buttonCount+checkboxCount+menuCount+radioCount+radioGroupCount > 0) { var forms = document.forms; for (var i = forms.length; --i >= 0; ) forms[i].reset(); } if (previousOnloadHandler) previousOnloadHandler(); } } } //////////////////////////////////// /////extensions for getProperty///// //////////////////////////////////// function _jmolEvalJSON(s,key){ s=s+"" if(!s)return [] if(s.charAt(0)!="{"){ if(s.indexOf(" | ")>=0)s=s.replace(/\ \|\ /g, "\n") return s } var A = eval("("+s+")") if(!A)return if(key && A[key])A=A[key] return A } function _jmolEnumerateObject(A,key){ var sout="" if(typeof(A) == "string" && A!="null"){ sout+="\n"+key+"=\""+A+"\"" }else if(!isNaN(A)||A==null){ sout+="\n"+key+"="+(A+""==""?"null":A) }else if(A.length){ sout+=key+"=[]" for(var i=0;ib[0]?-1:0) } function _jmolSortMessages(A){ if(!A || typeof(A)!="object")return [] var B = [] for(var i=A.length-1;i>=0;i--)for(var j=0;j=0;) for(var j=0;j< Ret[i].length;j++) s+=Ret[i][j]+"\n" return s } function jmolScriptWaitOutput(script, targetSuffix) { if(!targetSuffix)targetSuffix="0" var ret = "" try{ if (script) { _jmolCheckBrowser(); var applet=_jmolGetApplet(targetSuffix); if (applet) ret += applet.scriptWaitOutput(script); } }catch(e){ } return ret; } function jmolEvaluate(molecularMath, targetSuffix) { //carries out molecular math on a model if(!targetSuffix)targetSuffix="0" var result = "" + jmolGetPropertyAsJavaObject("evaluate", molecularMath, targetSuffix); var s = result.replace(/\-*\d+/,"") if (s == "" && !isNaN(parseInt(result)))return parseInt(result); var s = result.replace(/\-*\d*\.\d*/,"") if (s == "" && !isNaN(parseFloat(result)))return parseFloat(result); return result; } function jmolScriptEcho(script, targetSuffix) { // returns a newline-separated list of all echos from a script if(!targetSuffix)targetSuffix="0" var Ret=jmolScriptWaitAsArray(script, targetSuffix) var s = "" for(var i=Ret.length;--i>=0;) for(var j=Ret[i].length;--j>=0;) if (Ret[i][j][1] == "scriptEcho")s+=Ret[i][j][3]+"\n" return s.replace(/ \| /g, "\n") } function jmolScriptMessage(script, targetSuffix) { // returns a newline-separated list of all messages from a script, ending with "script completed\n" if(!targetSuffix)targetSuffix="0" var Ret=jmolScriptWaitAsArray(script, targetSuffix) var s = "" for(var i=Ret.length;--i>=0;) for(var j=Ret[i].length;--j>=0;) if (Ret[i][j][1] == "scriptStatus")s+=Ret[i][j][3]+"\n" return s.replace(/ \| /g, "\n") } function jmolScriptWaitAsArray(script, targetSuffix) { var ret = "" try{ jmolGetStatus("scriptEcho,scriptMessage,scriptStatus,scriptError",targetSuffix) if (script) { _jmolCheckBrowser(); var applet=_jmolGetApplet(targetSuffix); if (applet) ret += applet.scriptWait(script); ret = _jmolEvalJSON(ret,"jmolStatus") if(typeof ret == "object") return ret } }catch(e){ } return [[ret]] } //////////// save/restore orientation ///////////// function jmolSaveOrientation(id, targetSuffix) { if(!targetSuffix)targetSuffix="0" return _jmol["savedOrientation"+id] = jmolGetPropertyAsArray("orientationInfo","info",targetSuffix).moveTo } function jmolRestoreOrientation(id, targetSuffix) { if(!targetSuffix)targetSuffix="0" var s=_jmol["savedOrientation"+id] if (!s || s == "")return s=s.replace(/1\.0/,"0") return jmolScriptWait(s,targetSuffix) } function jmolRestoreOrientationDelayed(id, delay, targetSuffix) { if(arguments.length < 2)delay=1; if(!targetSuffix)targetSuffix="0" var s=_jmol["savedOrientation"+id] if (!s || s == "")return s=s.replace(/1\.0/,delay) return jmolScriptWait(s,targetSuffix) } //////////// add parameter ///////////// /* * for adding callbacks or other parameters. 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