# Jmol state version 12.0.26 2010-11-06 14:33; function _setWindowState() { # height 507; # width 508; stateVersion = 1200026; background [x000000]; axis1Color = "[xff0000]"; axis2Color = "[x008000]"; axis3Color = "[x0000ff]"; set ambientPercent 45; set diffusePercent 84; set specular true; set specularPercent 22; set specularPower 40; set specularExponent 6; set zShadePower 1; 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 defaultVDW Auto; set forceAutoBond false; #set defaultDirectory "/Applications/jmol-12.0.26"; #set loadFormat "http://www.rcsb.org/pdb/files/%FILE.pdb.gz"; #set smilesUrlFormat "http://cactus.nci.nih.gov/chemical/structure/%FILE/file?format=sdf&get3d=True"; #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 minBondDistance 0.4; set minimizationCriterion 0.0010; set minimizationSteps 100; set pdbGetHeader false; set pdbSequential false; set percentVdwAtom 23; set smallMoleculeMaxAtoms 40000; set smartAromatic true; load auto /*file*/"O3_631G_2.log"; } function _setVariableState() { set defaultanglelabel "%VALUE %UNITS"; set defaultcolorscheme "jmol"; set defaultdistancelabel "%VALUE %UNITS"; set defaultdrawarrowscale 0.5; 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 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 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 ellipsoidaxes false; set ellipsoidaxisdiameter 0.02; set ellipsoidball true; set ellipsoiddotcount 200; set ellipsoiddots false; set ellipsoidfill false; 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 isosurfacepropertysmoothing true; set justifymeasurements false; set loadatomdatatolerance 0.01; set logcommands false; set logfile ""; set loggestures false; set measureallmodels false; set measurementlabels true; set messagestylechime false; set minbonddistance 0.4; set minimizationcriterion 0.0010; set minimizationrefresh true; set minimizationsilent false; set minimizationsteps 100; set monitorenergy false; set multiplebondradiusfactor 0.0; set multiplebondspacing -1.0; set navigatesurface false; set navigationperiodic false; set navigationspeed 5.0; 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 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 usearcball false; set useminimizationthread true; set usenumberlocalization true; set vectorscale 1.0; set vibrationscale 0.5; set wireframerotation false; set zoomlarge true; # 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() { measures delete; measure (({7})) (({6})) (({8})); # angle 119.56341 119.6 ¡ O2/3 #2 O1/3 #1 O3/3 #3; measure (({7})) (({6})); # distance 1.25 0.125 nm O2/3 #2 O1/3 #1; measure (({8})) (({6})); # distance 1.25 0.125 nm O3/3 #3 O1/3 #1; select *; set measures nanometers; font measures 15.0 SansSerif Plain; boundBox off; font boundBox 14.0 SansSerif Plain; boundBox off; frank on; font frank 16.0 SansSerif Bold; select *; frame 1.1; moveto -1.0 { 55 998 -29 49.11} 229.72 0.0 0.1 {1.7692149 0.42067006 1.1911249} 2.7807565 {0.0 0.0 0.0} -91.2272 15.543553 0.0; frame 1.3; moveto -1.0 { 55 998 -29 49.11} 229.72 0.0 0.1 {1.7692149 0.42067006 1.1911249} 2.7807565 {0.0 0.0 0.0} -91.2272 15.543553 0.0; set fontScaling false; } function _setFrameState() { # frame state; # modelCount 3; # first 1.1; # last 1.3; frame RANGE 1.1 1.3; animation DIRECTION +1; animation FPS 10; animation MODE ONCE 0.0 0.0; frame 1.3; animation OFF; } function _setPerspectiveState() { set perspectiveModel 11; set scaleAngstromsPerInch 0.0; set perspectiveDepth true; set visualRange 5.0; set cameraDepth 3.0; boundbox corners {1.2366698 -0.37497005 0.6897398} {2.30176 1.2163101 1.69251} # volume = 1.6995519; center {1.7692149 0.42067006 1.1911249}; moveto -1.0 {0 0 1 0} 100.0 0.0 0.1 {1.7692149 0.42067006 1.1911249} 2.7807565 {0.0 0.0 0.0} 0.0 0.0 0.0; save orientation "default" moveto 0.0 { 55 998 -29 49.11} 234.32 0.0 0.1 {1.7692149 0.42067006 1.1911249} 2.7807565 {0.0 0.0 0.0} -93.17925 15.876147 0.0;; slab 100;depth 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 ({0:8}); set hideNotSelected false; } function _setState() { initialize; set refreshing false; _setWindowState; _setFileState; _setVariableState; _setModelState; _setFrameState; _setPerspectiveState; _setSelectionState; set refreshing true; set antialiasDisplay false; set antialiasTranslucent true; set antialiasImages true; } _setState;