JFIFk_ /****** Jmol Embedded Script **** # Jmol state version 13.3.5 2013-09-06 12:28; function _setWindowState() { # preferredWidthHeight 365 283; # width 365; # height 283; stateVersion = 1303005; background [xffffff]; axis1Color = "[xff0000]"; axis2Color = "[x008000]"; axis3Color = "[x0000ff]"; set ambientPercent 45; set diffusePercent 84; set specular true; set specularPercent 22; set specularPower 40; set celShading false; set specularExponent 6; set zShadePower 3; statusReporting = true; } function _setFileState() { set allowEmbeddedScripts false; set appendNew true; set appletProxy ""; set applySymmetryToBonds false; set autoBond true; set bondRadiusMilliAngstroms 150; set bondTolerance 0.45; set defaultLattice {0.0 0.0 0.0}; set defaultLoadFilter ""; set defaultLoadScript ""; set defaultStructureDssp true; set defaultVDW Auto; set forceAutoBond false; #set defaultDirectory "C:/Program Files (x86)/JMOL/jmol-13.3.5"; #set loadFormat "http://www.rcsb.org/pdb/files/%FILE.pdb.gz"; #set loadLigandFormat "http://www.rcsb.org/pdb/files/ligand/%FILE.cif"; #set smilesUrlFormat "http://cactus.nci.nih.gov/chemical/structure/%FILE/file?format=sdf&get3d=True"; #set nihResolverFormat "http://cactus.nci.nih.gov/chemical/structure/%FILE"; #set pubChemFormat "http://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/%FILE/SDF?record_type=3d"; #set edsUrlFormat "http://eds.bmc.uu.se/eds/dfs/%LC13/%LCFILE/%LCFILE.omap"; #set edsUrlCutoff "load('http://eds.bmc.uu.se/eds/dfs/%LC13/%LCFILE/%LCFILE.sfdat').lines.find('MAP_SIGMA').split(' ')[2]"; set legacyAutoBonding false; set legacyHAddition true; set minBondDistance 0.4; set minimizationCriterion 0.001; set minimizationSteps 100; set pdbAddHydrogens false; set pdbGetHeader false; set pdbSequential false; set percentVdwAtom 23; set smallMoleculeMaxAtoms 40000; set smartAromatic true; zap;load /*data*/ data "model list" 9 empty Xx -5.72825045193 5.66401339147 0.00483099500309 Xx 5.20169562942 5.66401339147 0.00483099500309 Xx 5.20169562942 -5.69100522856 0.00483099500309 Xx -5.72825045193 -5.69100522856 0.00483099500309 Xx -5.72825045193 3.39300966747 4.5047042276 Xx -5.72825045193 3.39300966747 -4.4950422376 Xx 5.20169562942 3.39300966747 4.5047042276 Xx 5.20169562942 3.39300966747 -4.4950422376 Xx 5.5 5.5 5.5 end "model list" ; } function _setVariableState() { set defaultanglelabel "%VALUE %UNITS"; set defaultcolorscheme "jmol"; set defaultdistancelabel "%VALUE %UNITS"; set defaultdrawarrowscale 0.5; set defaultlabelpdb "%m%r"; set defaultlabelxyz "%a"; set defaultlattice "{0.0 0.0 0.0}"; set defaultloadfilter ""; set defaultloadscript ""; set defaulttorsionlabel "%VALUE %UNITS"; set defaulttranslucent 0.5; set defaultvdw "Auto"; set allowembeddedscripts true; set allowmoveatoms false; set allowrotateselected false; set appletproxy ""; set applysymmetrytobonds false; set atompicking true; set atomtypes ""; set autobond true; set autofps false; set axes window; set axesmode 0; set axesscale 2.0; set bondmodeor false; set bondradiusmilliangstroms 150; set bondtolerance 0.45; set cartoonbaseedges false; set cartoonfancy false; set cartoonladders false; set cartoonrockets false; set chaincasesensitive false; set dataseparator "~~~"; set defaultstructuredssp true; set delaymaximumms 0; set dipolescale 1.0; set disablepopupmenu false; set displaycellparameters true; set dotdensity 3; set dotscale 1; set dotsselectedonly false; set dotsurface true; set dragselected false; set drawhover false; set drawpicking false; set dsspcalculatehydrogenalways true; set dynamicmeasurements false; set ellipsoidarcs false; set ellipsoidarrows false; set ellipsoidaxes false; set ellipsoidaxisdiameter 0.02; set ellipsoidball true; set ellipsoiddotcount 200; set ellipsoiddots false; set ellipsoidfill false; set energyunits "kJ"; set forceautobond false; set fractionalrelative false; set gestureswipefactor 1.0; set greyscalerendering false; set hbondsangleminimum 90.0; set hbondsbackbone false; set hbondsdistancemaximum 3.25; set hbondsrasmol true; set hbondssolid false; set helixstep 1; set helppath "http://chemapps.stolaf.edu/jmol/docs/index.htm"; set hermitelevel 0; set hidenameinpopup false; set hidenavigationpoint false; set highresolution false; set historylevel 0; set hoverdelay 0.5; set imagestate true; set iskiosk false; set isosurfacekey false; set isosurfacepropertysmoothing true; set isosurfacepropertysmoothingpower 7; set justifymeasurements false; set loadatomdatatolerance 0.01; set measureallmodels false; set measurementlabels true; set meshscale 1; set messagestylechime false; set minbonddistance 0.4; set minimizationcriterion 0.001; set minimizationrefresh true; set minimizationsilent false; set minimizationsteps 100; set minpixelselradius 6; set monitorenergy false; set multiplebondradiusfactor 0.0; set multiplebondspacing -1.0; set navigationperiodic false; set navigationspeed 5.0; set nmrpredictformat "http://www.nmrdb.org/service/predictor?POST?molfile="; set nmrurlformat "http://www.nmrdb.org/predictor?smiles="; set partialdots false; set pdbaddhydrogens false; set pdbgetheader false; set pdbsequential false; set percentvdwatom 23; set pickingspinrate 10; set picklabel ""; set pointgroupdistancetolerance 0.2; set pointgrouplineartolerance 8.0; set propertyatomnumbercolumncount 0; set propertyatomnumberfield 0; set propertycolorscheme "roygb"; set propertydatacolumncount 0; set propertydatafield 0; set quaternionframe "p"; set rangeselected false; set ribbonaspectratio 16; set ribbonborder false; set rocketbarrels false; set saveproteinstructurestate true; set selectallmodels true; set selecthetero true; set selecthydrogen true; set sheetsmoothing 1.0; set showhiddenselectionhalos false; set showhydrogens true; set showkeystrokes true; set showmeasurements true; set showmultiplebonds true; set shownavigationpointalways false; set slabbyatom false; set slabbymolecule false; set smallmoleculemaxatoms 40000; set smartaromatic true; set solventprobe false; set solventproberadius 1.2; set ssbondsbackbone false; set starscale 0.05; set stereodegrees -5.0; set strandcountformeshribbon 7; set strandcountforstrands 5; set strutdefaultradius 0.3; set strutlengthmaximum 7.0; set strutsmultiple false; set strutspacing 6; set testflag1 false; set testflag2 false; set testflag3 false; set testflag4 false; set tracealpha true; set translucent true; set twistedsheets false; set usearcball false; set useminimizationthread true; set usenumberlocalization true; set vectorscale 1.0; set vectorsymmetry false; set vibrationscale 1.0; set waitformoveto true; set wireframerotation false; set zdepth 0; set zoomheight false; set zoomlarge true; set zslab 50; # label defaults; select none; color label none; background label none; set labelOffset 4 4; set labelAlignment left; set labelPointer off; font label 13.0 SansSerif Plain; } function _setModelState() { select ({0:7}); color atoms opaque [x000000]; select ({0:8}); Spacefill 0.0; select ({0 1}); label "0"; select ({5 7}); label "-1"; select ({2 3}); label "infinity"; select ({4 6}); label "1"; select ({0:7}); set labelOffset 0 0; measures delete; select *; set measures nanometers; font measures 15.0 SansSerif Plain; draw delete; draw ID "line_60115" diameter 1 CURVE {-5.7282505 5.6640134 0.004830995} {-5.7282505 5.64356 0.4818509} {-5.7282505 5.5823474 0.95543385} {-5.7282505 5.480817 1.4221677} {-5.7282505 5.3396997 1.8786895} {-5.7282505 5.1600122 2.3217103} {-5.7282505 4.94305 2.7480378} {-5.7282505 4.6903753 3.1546004} {-5.7282505 4.4038095 3.5384688} {-5.7282505 4.0854163 3.8968775} {-5.7282505 3.737491 4.227244} {-5.7282505 3.3625395 4.5271873} {-5.7282505 2.9632635 4.7945476} {-5.7282505 2.54254 5.0273976} {-5.7282505 2.1034002 5.2240596} {-5.7282505 1.649008 5.383117} {-5.7282505 1.1826376 5.503424} {-5.7282505 0.70764893 5.5841136} {-5.7282505 0.22746441 5.624604} {-5.7282505 -0.25445625 5.624604} {-5.7282505 -0.7346408 5.5841136} {-5.7282505 -1.2096294 5.503424} {-5.7282505 -1.6759999 5.383117} {-5.7282505 -2.130392 5.2240596} {-5.7282505 -2.569532 5.0273976} {-5.7282505 -2.9902554 4.7945476} {-5.7282505 -3.3895314 4.5271873} {-5.7282505 -3.7644827 4.227244} {-5.7282505 -4.112408 3.8968775} {-5.7282505 -4.4308014 3.5384688} {-5.7282505 -4.717367 3.1546004} {-5.7282505 -4.9700418 2.7480378} {-5.7282505 -5.187004 2.3217103} {-5.7282505 -5.3666916 1.8786895} {-5.7282505 -5.5078087 1.4221677} {-5.7282505 -5.609339 0.95543385} {-5.7282505 -5.670552 0.4818509} {-5.7282505 -5.691005 0.004830995} {-5.7282505 -5.670552 -0.4721889} {-5.7282505 -5.609339 -0.9457718} {-5.7282505 -5.5078087 -1.4125056} {-5.7282505 -5.3666916 -1.8690276} {-5.7282505 -5.187004 -2.3120482} {-5.7282505 -4.9700418 -2.738376} {-5.7282505 -4.717367 -3.1449385} {-5.7282505 -4.4308014 -3.528807} {-5.7282505 -4.112408 -3.8872156} {-5.7282505 -3.7644827 -4.2175817} {-5.7282505 -3.3895314 -4.5175257} {-5.7282505 -2.9902554 -4.7848854} {-5.7282505 -2.569532 -5.0177355} {-5.7282505 -2.130392 -5.214398} {-5.7282505 -1.6759999 -5.3734555} {-5.7282505 -1.2096294 -5.4937625} {-5.7282505 -0.7346408 -5.574452} {-5.7282505 -0.25445625 -5.6149426} {-5.7282505 0.22746441 -5.6149426} {-5.7282505 0.70764893 -5.574452} {-5.7282505 1.1826376 -5.4937625} {-5.7282505 1.649008 -5.3734555} {-5.7282505 2.1034002 -5.214398} {-5.7282505 2.54254 -5.0177355} {-5.7282505 2.9632635 -4.7848854} {-5.7282505 3.3625395 -4.5175257} {-5.7282505 3.737491 -4.2175817} {-5.7282505 4.0854163 -3.8872156} {-5.7282505 4.4038095 -3.528807} {-5.7282505 4.6903753 -3.1449385} {-5.7282505 4.94305 -2.738376} {-5.7282505 5.1600122 -2.3120482} {-5.7282505 5.3396997 -1.8690276} {-5.7282505 5.480817 -1.4125056} {-5.7282505 5.5823474 -0.9457718} {-5.7282505 5.64356 -0.4721889} {-5.7282505 5.6640134 0.004830995}; 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draw ID "line_379137" fill noMesh noDots notFrontOnly fullylit; color draw opaque [x6666ff]; draw ID "line_941986" diameter 0.16180217 {-5.7282505 5.225327 -2.1632116} {4.138772 -2.4413962 -4.367208}; draw ID "line_941986" fill noMesh noDots notFrontOnly fullylit; color draw opaque [x6666ff]; draw ID "line_851164" diameter 0.16244902 {-5.7282505 5.5514774 -1.1095394} {4.1983194 -2.563014 -4.2088604}; draw ID "line_851164" fill noMesh noDots notFrontOnly fullylit; color draw opaque [x6666ff]; draw ID "line_392881" diameter 0.16066223 {-5.7282505 5.663985 -0.013085823} {4.241123 -2.6216521 -4.1011543}; draw ID "line_392881" fill noMesh noDots notFrontOnly fullylit; color draw opaque [x6666ff]; pmesh ID "obj_833653" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_833653.pmesh"; pmesh ID "obj_833653" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [xff0000]; pmesh ID "obj_233575" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_233575.pmesh"; pmesh ID "obj_233575" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_701549" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_701549.pmesh"; pmesh ID "obj_701549" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_410207" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_410207.pmesh"; pmesh ID "obj_410207" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_844804" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_844804.pmesh"; pmesh ID "obj_844804" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_648872" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_648872.pmesh"; pmesh ID "obj_648872" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_972892" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_972892.pmesh"; pmesh ID "obj_972892" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_139830" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_139830.pmesh"; pmesh ID "obj_139830" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_633762" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_633762.pmesh"; pmesh ID "obj_633762" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_502427" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_502427.pmesh"; pmesh ID "obj_502427" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_17192" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_17192.pmesh"; pmesh ID "obj_17192" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_563102" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_563102.pmesh"; pmesh ID "obj_563102" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_292409" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_292409.pmesh"; pmesh ID "obj_292409" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_620434" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_620434.pmesh"; pmesh ID "obj_620434" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_382699" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_382699.pmesh"; pmesh ID "obj_382699" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_551134" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_551134.pmesh"; pmesh ID "obj_551134" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_251283" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_251283.pmesh"; pmesh ID "obj_251283" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_847806" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_847806.pmesh"; pmesh ID "obj_847806" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_53123" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_53123.pmesh"; pmesh ID "obj_53123" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_344886" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_344886.pmesh"; pmesh ID "obj_344886" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_142377" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_142377.pmesh"; pmesh ID "obj_142377" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_750643" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_750643.pmesh"; pmesh ID "obj_750643" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_485223" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_485223.pmesh"; pmesh ID "obj_485223" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_7917" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_7917.pmesh"; pmesh ID "obj_7917" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_58483" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_58483.pmesh"; pmesh ID "obj_58483" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_32481" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_32481.pmesh"; pmesh ID "obj_32481" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_484749" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_484749.pmesh"; pmesh ID "obj_484749" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_965036" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_965036.pmesh"; pmesh ID "obj_965036" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_588432" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_588432.pmesh"; pmesh ID "obj_588432" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_157411" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_157411.pmesh"; pmesh ID "obj_157411" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_728728" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_728728.pmesh"; pmesh ID "obj_728728" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_843630" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_843630.pmesh"; pmesh ID "obj_843630" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_555453" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_555453.pmesh"; pmesh ID "obj_555453" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_394644" select ({0:8}) /*file*/"./rp1toRP1MD.xsqM4.jmol|obj_394644.pmesh"; pmesh ID "obj_394644" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; boundBox off; font boundBox 14.0 SansSerif Plain; boundBox off; frank off; font frank 16.0 SansSerif Bold; select *; set fontScaling false; } function _setPerspectiveState() { set perspectiveModel 11; set scaleAngstromsPerInch 0.0; set perspectiveDepth true; set visualRange 5.0; set cameraDepth 3.0; boundbox corners {-5.7282505 -5.6910048 -4.495043} {5.5 5.664014 5.5} # volume = 1274.3379; center {0.0 0.0 0.0}; moveto -1.0 {0 0 1 0} 100.0 0.0 0.0 {-0.11412501 -0.013495684 0.50247884} 10.321602 {0 0 0} 0 0 0 3.0 0.0 0.0; save orientation "default"; moveto 0.0 { -974 153 168 88.33} 132.25 0.0 0.0 {0.0 0.0 0.0} 10.526279 {0 0 0} 0 0 0 3.0 0.0 0.0;; slab 100;depth 0; set slabRange 0.0; set spinX 0; set spinY 30; set spinZ 0; set spinFps 30; set navX 0; set navY 0; set navZ 0; set navFps 10; } function _setSelectionState() { select ({7}); set hideNotSelected false; } function _setState() { initialize; set refreshing false; _setWindowState; _setFileState; _setVariableState; _setModelState; _setPerspectiveState; _setSelectionState; set refreshing true; set antialiasDisplay true; set antialiasTranslucent true; set antialiasImages true; } _setState; **/CJPEG Encoder Copyright 1998, James R. 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