Файл:3G6O.pdb.jpg

/****** Jmol Embedded Script ****

1. Jmol state version 12.0.40 2011-02-04 14:47;

function _setWindowState() {

1. height 661;
2. width 1276;

 stateVersion = 1200040;
 background [xffffff];
 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 "C:/Program Files/Mozilla Firefox";
 #set loadFormat "http://www.rcsb.org/pdb/files/%FILE.pdb.gz%22;
 #set smilesUrlFormat "http://cactus.nci.nih.gov/chemical/structure/%FILE/file?format=sdf&get3d=True%22;
 #set edsUrlFormat "http://eds.bmc.uu.se/eds/dfs/%LC13/%LCFILE/%LCFILE.omap%22;
 #set edsUrlCutoff "load('http://eds.bmc.uu.se/eds/dfs/%LC13/%LCFILE/%LCFILE.sfdat').lines.find('MAP_SIGMA').split(' ')[2]";
 set legacyAutoBonding false;
 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*/"./3G6O.pdb.gz";

}

function _setVariableState() {

  set defaultanglelabel "%VALUE %UNITS";
  set defaultcolorscheme "Jmol";
  set defaultdistancelabel "%VALUE %UNITS";
  set defaultdrawarrowscale 0.5;
  set defaultlattice "{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%22;
 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 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;
 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;

1. 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 ({0:7511});
 color atoms opaque [x0000ff];
 Spacefill 0.0;
 select BONDS ({0:7698});
 wireframe 0.0;

 measures delete;
 select *; set measures nanometers;
 font measures 15.0 SansSerif Plain;

 select ({0:7337});
 Cartoon on;
 select ({2737:2823 6409:6495});
 color Cartoon opaque [xfff000];
 select ({385:487 4051:4153});
 color Cartoon opaque [x0080ff];
 select ({2214:2323 5886:5995});
 color Cartoon opaque [xa0ff00];
 select ({2643:2736 6315:6408});
 color Cartoon opaque [xffff00];
 select ({0:111 3666:3777});
 color Cartoon opaque [x0000ff];
 select ({3359:3465 7031:7137});
 color Cartoon opaque [xff4000];
 select ({2921:3034 6593:6706});
 color Cartoon opaque [xffc000];
 select ({2110:2213 5782:5885});
 color Cartoon opaque [x80ff00];
 select ({1695:1801 5361:5467});
 color Cartoon opaque [x00ff00];
 select ({1568:1694 5234:5360});
 color Cartoon opaque [x00ff20];
 select ({1104:1236 4770:4902});
 color Cartoon opaque [x00ffa0];
 select ({112:200 3778:3866});
 color Cartoon opaque [x0020ff];
 select ({488:583 4154:4249});
 color Cartoon opaque [x00a0ff];
 select ({2324:2424 5996:6096});
 color Cartoon opaque [xc0ff00];
 select ({1454:1567 5120:5233});
 color Cartoon opaque [x00ff40];
 select ({1008:1103 4674:4769});
 color Cartoon opaque [x00ffc0];
 select ({3263:3358 6935:7030});
 color Cartoon opaque [xff6000];
 select ({2824:2920 6496:6592});
 color Cartoon opaque [xffe000];
 select ({805:905 4471:4571});
 color Cartoon opaque [x00ffff];
 select ({1343:1453 5009:5119});
 color Cartoon opaque [x00ff60];
 select ({906:1007 4572:4673});
 color Cartoon opaque [x00ffe0];
 select ({1802:1908 5468:5574});
 color Cartoon opaque [x20ff00];
 select ({201:292 3867:3958});
 color Cartoon opaque [x0040ff];
 select ({584:688 4250:4354});
 color Cartoon opaque [x00c0ff];
 select ({1237:1342 4903:5008});
 color Cartoon opaque [x00ff80];
 select ({3137:3262 6809:6934});
 color Cartoon opaque [xff8000];
 select ({2536:2642 6208:6314});
 color Cartoon opaque [xf0f000];
 select ({3566:3665 7238:7337});
 color Cartoon opaque [xff0000];
 select ({2425:2535 6097:6207});
 color Cartoon opaque [xe0ff00];
 select ({293:384 3959:4050});
 color Cartoon opaque [x0060ff];
 select ({689:804 4355:4470});
 color Cartoon opaque [x00e0ff];
 select ({2023:2109 5689:5781});
 color Cartoon opaque [x60ff00];
 select ({1909:2022 5575:5688});
 color Cartoon opaque [x40ff00];
 select ({3466:3565 7138:7237});
 color Cartoon opaque [xff2000];
 select ({3035:3136 6707:6808});
 color Cartoon opaque [xffa000];

 boundBox off;
 font boundBox 14.0 SansSerif Plain;
 boundBox off;

 unitcell off;
 font unitcell 14.0 SansSerif Plain;
 unitcell off;

 hover "%U";

 frank on;
 font frank 16.0 SansSerif Bold;
 select *;

}

function _setPerspectiveState() {

 set perspectiveModel 11;
 set scaleAngstromsPerInch 0.0;
 set perspectiveDepth true;
 set visualRange 5.0;
 set cameraDepth 3.0;
 boundbox corners {-17.746002 -4.0719986 -11.239999} {88.31801 97.27599 42.965004} # volume = 582669.8;
 center {35.286003 46.601997 15.862502};
 moveto -1.0 {0 0 1 0} 100.0 0.0 0.09 {35.286003 46.601997 15.862502} 59.717693 {0.0 0.0 0.0} 0.0 0.0 0.0;
 save orientation "default";
 moveto 0.0 { 424 749 -509 145.1} 90.0 0.0 0.0 {35.286003 46.601997 15.862502} 59.717693 {0.0 0.0 0.0} -20.237387 7.6194544 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 ({0:7511});
 set hideNotSelected false;

}

function _setState() {

 initialize;
 set refreshing false;
 _setWindowState;
 _setFileState;
 _setVariableState;
 _setModelState;
 _setPerspectiveState;
 _setSelectionState;
 set refreshing true;
 set antialiasDisplay false;
 set antialiasTranslucent true;
 set antialiasImages true;

}

_setState;

• • /