# Jmol state version 11.8.20 2010-02-28 19:28; function _setWindowState() { # height 539; # width 636; stateVersion = 1108020; background [x000000]; axis1Color = "[xff0000]"; axis2Color = "[x008000]"; axis3Color = "[x0000ff]"; ambientPercent = 45; diffusePercent = 84; specular = true; specularPercent = 22; specularPower = 40; specularExponent = 6; statusReporting = true; } function _setFileState() { set allowEmbeddedScripts false; set autoBond true; set appendNew true; set appletProxy ""; set applySymmetryToBonds false; set bondRadiusMilliAngstroms 150; set bondTolerance 0.45; set defaultLattice {0.0 0.0 0.0}; set defaultLoadScript ""; set defaultVDW Jmol; set forceAutoBond false; set loadFormat "http://www.rcsb.org/pdb/files/%FILE.pdb"; set minBondDistance 0.4; set pdbSequential false; set pdbGetHeader false; set percentVdwAtom 20; set smartAromatic true; load /*file*/"C6H5Cl_DZV_opt.log"; } function _setVariableState() { set defaultanglelabel "%VALUE %UNITS"; set defaultcolorscheme "Jmol"; set defaultdistancelabel "%VALUE %UNITS"; set defaultdrawarrowscale 0.5; set defaultlattice "{0 0 0}"; set defaultloadscript ""; set defaulttorsionlabel "%VALUE %UNITS"; set defaulttranslucent 0.5; set defaultvdw "Jmol"; set allowembeddedscripts true; set allowkeystrokes false; set allowrotateselected false; set appletproxy ""; set applysymmetrytobonds false; set atompicking true; set atomtypes ""; set autobond true; set autofps false; set autoloadorientation false; set axes window; set axesmode 0; set axesscale 2.0; set bondmodeor false; set bondpicking false; set bondradiusmilliangstroms 150; set bondtolerance 0.45; set cartoonrockets false; set chaincasesensitive false; set dataseparator "~~~"; set delaymaximumms 0; set dipolescale 1.0; set disablepopupmenu false; set displaycellparameters true; set dotdensity 3; set dotsselectedonly false; set dotsurface true; set dragselected false; set drawhover false; set drawpicking false; 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 fontcaching true; set forceautobond false; set greyscalerendering false; set hbondsangleminimum 90.0; set hbondsbackbone false; set hbondsdistancemaximum 3.25; 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 isosurfacepropertysmoothing true; set justifymeasurements false; set loadatomdatatolerance 0.01; set loadformat "http://www.rcsb.org/pdb/files/%FILE.pdb"; set measureallmodels false; set measurementlabels true; set messagestylechime false; set minbonddistance 0.4; set navigatesurface false; set navigationperiodic false; set navigationspeed 5.0; set pdbgetheader false; set pdbsequential false; set percentvdwatom 20; 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 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 smartaromatic true; set solventprobe false; set solventproberadius 1.2; set ssbondsbackbone false; set stereodegrees -5; set strandcountformeshribbon 7; set strandcountforstrands 5; set testflag1 false; set testflag2 false; set testflag3 false; set testflag4 false; set tracealpha true; set useminimizationthread true; set usenumberlocalization true; set vectorscale 1.0; set vibrationperiod 0.5; set vibrationscale 0.5; set wireframerotation false; set zoomlarge true; #user-defined variables; # --no global user variables defined--; # 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 ({4}) ({7}); # distance 1.0706699 1.07 C5/1 #5 H8/1 #8; measure ({3}) ({8}); # distance 1.0724798 1.07 C4/1 #4 H9/1 #9; measure ({3}) ({4}); # distance 1.3882698 1.39 C4/1 #4 C5/1 #5; measure ({3}) ({2}); # distance 1.3876301 1.39 C4/1 #4 C3/1 #3; measure ({2}) ({9}); # distance 1.0724297 1.07 C3/1 #3 H10/1 #10; measure ({2}) ({1}); # distance 1.3876301 1.39 C3/1 #3 C2/1 #2; measure ({1}) ({10}); # distance 1.0724797 1.07 C2/1 #2 H11/1 #11; measure ({1}) ({0}); # distance 1.3882796 1.39 C2/1 #2 C1/1 #1; measure ({0}) ({11}); # distance 1.07067 1.07 C1/1 #1 H12/1 #12; measure ({0}) ({5}); # distance 1.3800694 1.38 C1/1 #1 C6/1 #6; measure ({5}) ({6}); # distance 1.8119999 1.81 C6/1 #6 CL7/1 #7; measure ({5}) ({4}); # distance 1.3800697 1.38 C6/1 #6 C5/1 #5; measure ({6}) ({5}) ({4}); # angle 119.0018 119.0 CL7/1 #7 C6/1 #6 C5/1 #5; measure ({7}) ({4}) ({3}); # angle 120.9475 120.9 H8/1 #8 C5/1 #5 C4/1 #4; measure ({4}) ({3}) ({8}); # angle 119.502 119.5 C5/1 #5 C4/1 #4 H9/1 #9; measure ({8}) ({3}) ({2}); # angle 120.22309 120.2 H9/1 #9 C4/1 #4 C3/1 #3; measure ({3}) ({2}) ({9}); # angle 120.041214 120.0 C4/1 #4 C3/1 #3 H10/1 #10; select *; set measures angstroms; font measures 15.0 SansSerif Plain; select measures ({null}); boundBox off; hover "%U"; frank on; font frank 16.0 SansSerif Bold; set fontScaling false; } function _setFrameState() { # frame state; # modelCount 8; # first 1.1; # last 1.8; frame RANGE 1.1 1.8; animation DIRECTION +1; animation FPS 10; animation MODE ONCE 0.0 0.0; frame 1.1; animation OFF; } function _setPerspectiveState() { set perspectiveModel 11; set scaleAngstromsPerInch 0.0; set perspectiveDepth true; set visualRange 5.0; set cameraDepth 3.0; boundbox corners {-2.2140424 -2.1381483 0.0} {3.4336674 2.1380901 0.0} # volume = 0.0; center {0.6098125 -2.9087067E-5 0.0}; moveto 0.0 { 707 707 -6 1.41} 152.09 0.0 0.09 {0.6098125 -2.9087067E-5 0.0} 4.7938547 {0.0 0.0 0.0} -9.646073 -5.435413E-4 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 ({9}); 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;