JFIFX /****** Jmol Embedded Script **** # Jmol state version 13.3.5 2013-09-06 12:28; function _setWindowState() { # preferredWidthHeight 516 489; # width 516; # height 489; 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:/Users/Martin Flashman/Desktop"; #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 -5.85815331228 5.86606056827 0.0390609002424 Xx 5.59110448177 5.86606056827 0.0390609002424 Xx 5.59110448177 -5.95649096192 0.0390609002424 Xx -5.85815331228 -5.95649096192 0.0390609002424 Xx -5.85815331228 3.50155026223 4.74805076548 Xx -5.85815331228 3.50155026223 -4.66992896499 Xx 5.59110448177 3.50155026223 4.74805076548 Xx 5.59110448177 3.50155026223 -4.66992896499 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_768155" diameter 1 CURVE {-5.8581533 5.8660607 0.0390609} {-5.8581533 5.844765 0.5382487} {-5.8581533 5.781032 1.0338398} {-5.8581533 5.675321 1.5222635} {-5.8581533 5.5283933 2.0000007} {-5.8581533 5.3413076 2.4636095} {-5.8581533 5.1154118 2.909749} {-5.8581533 4.852334 3.3352053} {-5.8581533 4.553969 3.736913} {-5.8581533 4.2224665 4.111977} {-5.8581533 3.8602152 4.4576964} {-5.8581533 3.4698255 4.771579} {-5.8581533 3.0541098 5.0513635} {-5.8581533 2.6160634 5.2950344} {-5.8581533 2.1588423 5.500836} {-5.8581533 1.685741 5.6672854} {-5.8581533 1.200168 5.793183} {-5.8581533 0.70562214 5.877622} {-5.8581533 0.20566645 5.9199944} {-5.8581533 -0.29609686 5.9199944} {-5.8581533 -0.7960526 5.877622} {-5.8581533 -1.2905985 5.793183} {-5.8581533 -1.7761713 5.6672854} {-5.8581533 -2.2492726 5.500836} {-5.8581533 -2.7064936 5.2950344} {-5.8581533 -3.14454 5.0513635} {-5.8581533 -3.5602558 4.771579} {-5.8581533 -3.9506457 4.4576964} {-5.8581533 -4.3128967 4.111977} {-5.8581533 -4.644399 3.736913} {-5.8581533 -4.9427643 3.3352053} {-5.8581533 -5.2058425 2.909749} {-5.8581533 -5.431738 2.4636095} {-5.8581533 -5.618824 2.0000007} {-5.8581533 -5.7657514 1.5222635} {-5.8581533 -5.871463 1.0338398} {-5.8581533 -5.9351954 0.5382487} {-5.8581533 -5.956491 0.0390609} {-5.8581533 -5.9351954 -0.4601269} {-5.8581533 -5.871463 -0.95571804} {-5.8581533 -5.7657514 -1.4441417} {-5.8581533 -5.618824 -1.921879} {-5.8581533 -5.431738 -2.3854876} {-5.8581533 -5.2058425 -2.8316274} {-5.8581533 -4.9427643 -3.2570837} {-5.8581533 -4.644399 -3.658791} {-5.8581533 -4.3128967 -4.0338554} {-5.8581533 -3.9506457 -4.3795743} {-5.8581533 -3.5602558 -4.693457} {-5.8581533 -3.14454 -4.973242} {-5.8581533 -2.7064936 -5.2169127} {-5.8581533 -2.2492726 -5.422714} {-5.8581533 -1.7761713 -5.5891633} {-5.8581533 -1.2905985 -5.715061} {-5.8581533 -0.7960526 -5.7995005} {-5.8581533 -0.29609686 -5.8418727} {-5.8581533 0.20566645 -5.8418727} {-5.8581533 0.70562214 -5.7995005} {-5.8581533 1.200168 -5.715061} {-5.8581533 1.685741 -5.5891633} {-5.8581533 2.1588423 -5.422714} {-5.8581533 2.6160634 -5.2169127} {-5.8581533 3.0541098 -4.973242} {-5.8581533 3.4698255 -4.693457} {-5.8581533 3.8602152 -4.3795743} {-5.8581533 4.2224665 -4.0338554} {-5.8581533 4.553969 -3.658791} {-5.8581533 4.852334 -3.2570837} {-5.8581533 5.1154118 -2.8316274} {-5.8581533 5.3413076 -2.3854876} {-5.8581533 5.5283933 -1.921879} {-5.8581533 5.675321 -1.4441417} {-5.8581533 5.781032 -0.95571804} {-5.8581533 5.844765 -0.4601269} {-5.8581533 5.8660607 0.0390609}; 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pmesh ID "obj_494848" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_773390" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_773390.pmesh"; pmesh ID "obj_773390" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_262593" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_262593.pmesh"; pmesh ID "obj_262593" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_670539" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_670539.pmesh"; pmesh ID "obj_670539" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_537880" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_537880.pmesh"; pmesh ID "obj_537880" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_379413" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_379413.pmesh"; pmesh ID "obj_379413" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_342372" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_342372.pmesh"; pmesh ID "obj_342372" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_276239" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_276239.pmesh"; pmesh ID "obj_276239" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_174925" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_174925.pmesh"; pmesh ID "obj_174925" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_35101" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_35101.pmesh"; pmesh ID "obj_35101" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_741786" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_741786.pmesh"; pmesh ID "obj_741786" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_213489" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_213489.pmesh"; pmesh ID "obj_213489" fill noMesh noDots notFrontOnly fullylit; color pmesh opaque [x6666ff]; pmesh ID "obj_359023" select ({0:8}) /*file*/"./rp1toRP1MD.1OxSQM1.jmol|obj_359023.pmesh"; pmesh ID "obj_359023" 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 {-5.8581543 -5.9564915 -4.6699286} {5.5911045 5.8660603 5.5} # volume = 1376.596; center {0.0 0.0 0.0}; moveto -1.0 {0 0 1 0} 100.0 0.0 0.0 {-0.13352466 -0.04521537 0.41503572} 10.399089 {0 0 0} 0 0 0 3.0 0.0 0.0; save orientation "default"; moveto 0.0 { -967 183 176 90.79} 115.0 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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