# 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*/"flourobenzene_631G_10.log.gz"; } 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 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 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 1.0; 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 (({0})) (({1})); # distance 1.37 0.137 nm C1/1 #1 C2/1 #2; measure (({1})) (({2})); # distance 1.38 0.138 nm C2/1 #2 C3/1 #3; measure (({2})) (({3})); # distance 1.38 0.138 nm C3/1 #3 C4/1 #4; measure (({3})) (({4})); # distance 1.38 0.138 nm C4/1 #4 C5/1 #5; measure (({4})) (({5})); # distance 1.38 0.138 nm C5/1 #5 C6/1 #6; measure (({5})) (({0})); # distance 1.37 0.137 nm C6/1 #6 C1/1 #1; measure (({0})) (({11})); # distance 1.36 0.136 nm C1/1 #1 F12/1 #12; measure (({1})) (({0})) (({11})); # angle 119.148224 119.1 ¡ C2/1 #2 C1/1 #1 F12/1 #12; measure (({107})) (({96})); # distance 1.38 0.138 nm F12/9 #12 C1/9 #1; measure (({1})) (({6})); # distance 1.07 0.107 nm C2/1 #2 H7/1 #7; measure (({2})) (({7})); # distance 1.07 0.107 nm C3/1 #3 H8/1 #8; measure (({3})) (({8})); # distance 1.07 0.107 nm C4/1 #4 H9/1 #9; measure (({4})) (({9})); # distance 1.07 0.107 nm C5/1 #5 H10/1 #10; measure (({5})) (({10})); # distance 1.07 0.107 nm C6/1 #6 H11/1 #11; measure (({12})) (({13})); # distance 1.37 0.137 nm C1/2 #1 C2/2 #2; measure (({12})) (({17})); # distance 1.37 0.137 nm C1/2 #1 C6/2 #6; measure (({12})) (({23})); # distance 1.36 0.136 nm C1/2 #1 F12/2 #12; measure (({13})) (({14})); # distance 1.38 0.138 nm C2/2 #2 C3/2 #3; measure (({13})) (({18})); # distance 1.07 0.107 nm C2/2 #2 H7/2 #7; measure (({14})) (({15})); # distance 1.38 0.138 nm C3/2 #3 C4/2 #4; measure (({14})) (({19})); # distance 1.07 0.107 nm C3/2 #3 H8/2 #8; measure (({15})) (({16})); # distance 1.38 0.138 nm C4/2 #4 C5/2 #5; measure (({15})) (({20})); # distance 1.07 0.107 nm C4/2 #4 H9/2 #9; measure (({16})) (({17})); # distance 1.38 0.138 nm C5/2 #5 C6/2 #6; measure (({16})) (({21})); # distance 1.07 0.107 nm C5/2 #5 H10/2 #10; measure (({17})) (({22})); # distance 1.07 0.107 nm C6/2 #6 H11/2 #11; measure (({24})) (({25})); # distance 1.38 0.138 nm C1/3 #1 C2/3 #2; measure (({24})) (({29})); # distance 1.38 0.138 nm C1/3 #1 C6/3 #6; measure (({24})) (({35})); # distance 1.38 0.138 nm C1/3 #1 F12/3 #12; measure (({25})) (({26})); # distance 1.39 0.139 nm C2/3 #2 C3/3 #3; measure (({25})) (({30})); # distance 1.07 0.107 nm C2/3 #2 H7/3 #7; measure (({26})) (({27})); # distance 1.39 0.139 nm C3/3 #3 C4/3 #4; measure (({26})) (({31})); # distance 1.07 0.107 nm C3/3 #3 H8/3 #8; measure (({27})) (({28})); # distance 1.39 0.139 nm C4/3 #4 C5/3 #5; measure (({27})) (({32})); # distance 1.07 0.107 nm C4/3 #4 H9/3 #9; measure (({28})) (({29})); # distance 1.39 0.139 nm C5/3 #5 C6/3 #6; measure (({28})) (({33})); # distance 1.07 0.107 nm C5/3 #5 H10/3 #10; measure (({29})) (({34})); # distance 1.07 0.107 nm C6/3 #6 H11/3 #11; measure (({36})) (({37})); # distance 1.38 0.138 nm C1/4 #1 C2/4 #2; measure (({36})) (({41})); # distance 1.38 0.138 nm C1/4 #1 C6/4 #6; measure (({36})) (({47})); # distance 1.38 0.138 nm C1/4 #1 F12/4 #12; measure (({37})) (({38})); # distance 1.39 0.139 nm C2/4 #2 C3/4 #3; measure (({37})) (({42})); # distance 1.07 0.107 nm C2/4 #2 H7/4 #7; measure (({38})) (({39})); # distance 1.39 0.139 nm C3/4 #3 C4/4 #4; measure (({38})) (({43})); # distance 1.07 0.107 nm C3/4 #3 H8/4 #8; measure (({39})) (({40})); # distance 1.39 0.139 nm C4/4 #4 C5/4 #5; measure (({39})) (({44})); # distance 1.07 0.107 nm C4/4 #4 H9/4 #9; measure (({40})) (({41})); # distance 1.39 0.139 nm C5/4 #5 C6/4 #6; measure (({40})) (({45})); # distance 1.07 0.107 nm C5/4 #5 H10/4 #10; measure (({41})) (({46})); # distance 1.07 0.107 nm C6/4 #6 H11/4 #11; measure (({48})) (({49})); # distance 1.38 0.138 nm C1/5 #1 C2/5 #2; measure (({48})) (({53})); # distance 1.38 0.138 nm C1/5 #1 C6/5 #6; measure (({48})) (({59})); # distance 1.38 0.138 nm C1/5 #1 F12/5 #12; measure (({49})) (({50})); # distance 1.39 0.139 nm C2/5 #2 C3/5 #3; measure (({49})) (({54})); # distance 1.07 0.107 nm C2/5 #2 H7/5 #7; measure (({50})) (({51})); # distance 1.39 0.139 nm C3/5 #3 C4/5 #4; measure (({50})) (({55})); # distance 1.07 0.107 nm C3/5 #3 H8/5 #8; measure (({51})) (({52})); # distance 1.39 0.139 nm C4/5 #4 C5/5 #5; measure (({51})) (({56})); # distance 1.07 0.107 nm C4/5 #4 H9/5 #9; measure (({52})) (({53})); # distance 1.39 0.139 nm C5/5 #5 C6/5 #6; measure (({52})) (({57})); # distance 1.07 0.107 nm C5/5 #5 H10/5 #10; measure (({53})) (({58})); # distance 1.07 0.107 nm C6/5 #6 H11/5 #11; measure (({60})) (({61})); # distance 1.38 0.138 nm C1/6 #1 C2/6 #2; measure (({60})) (({65})); # distance 1.38 0.138 nm C1/6 #1 C6/6 #6; measure (({60})) (({71})); # distance 1.38 0.138 nm C1/6 #1 F12/6 #12; measure (({61})) (({62})); # distance 1.39 0.139 nm C2/6 #2 C3/6 #3; measure (({61})) (({66})); # distance 1.07 0.107 nm C2/6 #2 H7/6 #7; measure (({62})) (({63})); # distance 1.39 0.139 nm C3/6 #3 C4/6 #4; measure (({62})) (({67})); # distance 1.07 0.107 nm C3/6 #3 H8/6 #8; measure (({63})) (({64})); # distance 1.39 0.139 nm C4/6 #4 C5/6 #5; measure (({63})) (({68})); # distance 1.07 0.107 nm C4/6 #4 H9/6 #9; measure (({64})) (({65})); # distance 1.39 0.139 nm C5/6 #5 C6/6 #6; measure (({64})) (({69})); # distance 1.07 0.107 nm C5/6 #5 H10/6 #10; measure (({65})) (({70})); # distance 1.07 0.107 nm C6/6 #6 H11/6 #11; measure (({72})) (({73})); # distance 1.38 0.138 nm C1/7 #1 C2/7 #2; measure (({72})) (({77})); # distance 1.38 0.138 nm C1/7 #1 C6/7 #6; measure (({72})) (({83})); # distance 1.38 0.138 nm C1/7 #1 F12/7 #12; measure (({73})) (({74})); # distance 1.39 0.139 nm C2/7 #2 C3/7 #3; measure (({73})) (({78})); # distance 1.07 0.107 nm C2/7 #2 H7/7 #7; measure (({74})) (({75})); # distance 1.39 0.139 nm C3/7 #3 C4/7 #4; measure (({74})) (({79})); # distance 1.07 0.107 nm C3/7 #3 H8/7 #8; measure (({75})) (({76})); # distance 1.39 0.139 nm C4/7 #4 C5/7 #5; measure (({75})) (({80})); # distance 1.07 0.107 nm C4/7 #4 H9/7 #9; measure (({76})) (({77})); # distance 1.39 0.139 nm C5/7 #5 C6/7 #6; measure (({76})) (({81})); # distance 1.07 0.107 nm C5/7 #5 H10/7 #10; measure (({77})) (({82})); # distance 1.07 0.107 nm C6/7 #6 H11/7 #11; measure (({84})) (({85})); # distance 1.38 0.138 nm C1/8 #1 C2/8 #2; measure (({84})) (({89})); # distance 1.38 0.138 nm C1/8 #1 C6/8 #6; measure (({84})) (({95})); # distance 1.38 0.138 nm C1/8 #1 F12/8 #12; measure (({85})) (({86})); # distance 1.39 0.139 nm C2/8 #2 C3/8 #3; measure (({85})) (({90})); # distance 1.07 0.107 nm C2/8 #2 H7/8 #7; measure (({86})) (({87})); # distance 1.39 0.139 nm C3/8 #3 C4/8 #4; measure (({86})) (({91})); # distance 1.07 0.107 nm C3/8 #3 H8/8 #8; measure (({87})) (({88})); # distance 1.39 0.139 nm C4/8 #4 C5/8 #5; measure (({87})) (({92})); # distance 1.07 0.107 nm C4/8 #4 H9/8 #9; measure (({88})) (({89})); # distance 1.39 0.139 nm C5/8 #5 C6/8 #6; measure (({88})) (({93})); # distance 1.07 0.107 nm C5/8 #5 H10/8 #10; measure (({89})) (({94})); # distance 1.07 0.107 nm C6/8 #6 H11/8 #11; measure (({96})) (({97})); # distance 1.38 0.138 nm C1/9 #1 C2/9 #2; measure (({96})) (({101})); # distance 1.38 0.138 nm C1/9 #1 C6/9 #6; measure (({97})) (({98})); # distance 1.39 0.139 nm C2/9 #2 C3/9 #3; measure (({97})) (({102})); # distance 1.07 0.107 nm C2/9 #2 H7/9 #7; measure (({98})) (({99})); # distance 1.39 0.139 nm C3/9 #3 C4/9 #4; measure (({98})) (({103})); # distance 1.07 0.107 nm C3/9 #3 H8/9 #8; measure (({99})) (({100})); # distance 1.39 0.139 nm C4/9 #4 C5/9 #5; measure (({99})) (({104})); # distance 1.07 0.107 nm C4/9 #4 H9/9 #9; measure (({100})) (({101})); # distance 1.39 0.139 nm C5/9 #5 C6/9 #6; measure (({100})) (({105})); # distance 1.07 0.107 nm C5/9 #5 H10/9 #10; measure (({101})) (({106})); # distance 1.07 0.107 nm C6/9 #6 H11/9 #11; measure (({99})) (({98})) (({97})); # angle 120.32261 120.3 ¡ C4/9 #4 C3/9 #3 C2/9 #2; measure (({98})) (({97})) (({96})); # angle 118.2125 118.2 ¡ C3/9 #3 C2/9 #2 C1/9 #1; measure (({97})) (({96})) (({101})); # angle 122.9523 123.0 ¡ C2/9 #2 C1/9 #1 C6/9 #6; measure (({96})) (({101})) (({100})); # angle 118.212555 118.2 ¡ C1/9 #1 C6/9 #6 C5/9 #5; measure (({101})) (({100})) (({99})); # angle 120.32256 120.3 ¡ C6/9 #6 C5/9 #5 C4/9 #4; measure (({98})) (({99})) (({100})); # angle 119.9773 120.0 ¡ C3/9 #3 C4/9 #4 C5/9 #5; 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 { 707 707 3 0.64} 142.82 22.83 -8.09 {2.5384398 0.49120995 0.57404995} 4.325546 {0.0 0.0 0.0} -17.9091 -0.36946133 0.0; frame 1.9; moveto -1.0 { 707 707 3 0.64} 142.82 22.83 -8.09 {2.5384398 0.49120995 0.57404995} 4.325546 {0.0 0.0 0.0} -17.9091 -0.36946133 0.0; set fontScaling false; } function _setFrameState() { # frame state; # modelCount 9; # first 1.1; # last 1.9; frame RANGE 1.1 1.9; animation DIRECTION +1; animation FPS 10; animation MODE ONCE 0.0 0.0; frame 1.9; animation OFF; } function _setPerspectiveState() { set perspectiveModel 11; set scaleAngstromsPerInch 0.0; set perspectiveDepth true; set visualRange 5.0; set windowCentered false; set cameraDepth 3.0; boundbox corners {-0.8346441 -2.6189528 0.3946957} {3.4751675 2.5470943 0.88863224} # volume = 10.997344; center {2.5384398 0.49120995 0.57404995}; moveto -1.0 {0 0 1 0} 100.0 0.0 0.1 {1.3202617 -0.035929322 0.64166397} 4.325546 {0.0 0.0 0.0} 0.0 0.0 0.0; save orientation "default" moveto 0.0 { 371 928 -3 2.42} 142.82 22.83 -8.09 {2.5384398 0.49120995 0.57404995} 4.325546 {0.0 0.0 0.0} -18.31562 -0.41025075 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 ({0:107}); 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;