# Jmol state version 16.2.17  2024-06-07 15:31;

function _setWindowState() {
# width 956;
# height 622;
  stateVersion = 1602017;
  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 celShading false;
  set celShadingPower 10;
  set zShadePower 3;
}

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 "/Applications/jmol-16.2.17";
  #set loadFormat "https://files.rcsb.org/download/%FILE.pdb";
  #set loadLigandFormat "https://files.rcsb.org/ligands/download/%FILE.cif";
  #set smilesUrlFormat "https://cactus.nci.nih.gov/chemical/structure/%FILE/file?format=sdf&get3d=true";
  #set nihResolverFormat "https://cactus.nci.nih.gov/chemical/structure";
  #set pubChemFormat "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/%FILE/SDF?record_type=3d";
  set bondingVersion 0;
  set legacyAutoBonding false;
  set legacyAutoBonding false;
  set legacyHAddition false;
  set legacyJavaFloat false;
  set minBondDistance 0.4;
  set minimizationCriterion  0.001;
  set minimizationSteps  100;
  set multipleBondBananas false;
  set pdbAddHydrogens false;
  set pdbGetHeader false;
  set pdbSequential false;
  set percentVdwAtom 23;
  set smallMoleculeMaxAtoms 40000;
  set smartAromatic true;
  load /*file*/"Pdb::file:/Users/joel/Documents/Res_Projs/Proteopedia/Proteopedia_I3DC/S2059798324006594/8pry_Fig_3B_Gol_Binding.pdb";

}

function _setParameterState() {

   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}";
   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 animationmode "once";
  set appletproxy "";
  set applysymmetrytobonds false;
  set atomtypes "";
  set autobond true;
  set autofps false;
  set axes window;
  set axesmode 0;
  set axesoffset 0.0;
  set axesscale 2.0;
  set bondmodeor false;
  set bondradiusmilliangstroms 150;
  set bondtolerance 0.45;
  set cartoonbaseedges false;
  set cartoonblockheight 0.5;
  set cartoonblocks false;
  set cartoonfancy false;
  set cartoonladders false;
  set cartoonrockets false;
  set cartoonsteps 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 doubleprecision false;
  set dragselected false;
  set drawfontsize 16.0;
  set drawhover false;
  set dsspcalculatehydrogenalways true;
  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 gestureswipefactor 1.0;
  set greyscalerendering false;
  set hbondhxdistancemaximum 2.5;
  set hbondsbackbone false;
  set hbondsrasmol true;
  set hbondssolid false;
  set helixstep 1;
  set helppath "https://chemapps.stolaf.edu/jmol/docs/index.htm";
  set hermitelevel 0;
  set hiddenlinesdashed false;
  set hidenameinpopup false;
  set hidenavigationpoint false;
  set highresolution false;
  set hoverdelay 0.5;
  set infofontsize 20;
  set isosurfacekey false;
  set isosurfacepropertysmoothing true;
  set isosurfacepropertysmoothingpower 7;
  set justifymeasurements false;
  set labelpointerwidth 2;
  set loadatomdatatolerance 0.01;
  set measureallmodels false;
  set measurementlabels false;
  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 modelkit false;
  set modulationscale 1.0;
  set monitorenergy false;
  set multiplebondbananas false;
  set multiplebondradiusfactor 0.0;
  set multiplebondspacing 5.0;
  set navigationperiodic false;
  set navigationspeed 5.0;
  set nbocharges true;
  set nmrpredictformat "https://www.nmrdb.org/service/predictor?POST?molfile=";
  set nmrurlformat "https://www.nmrdb.org/new_predictor?POST?molfile=";
  set partialdots false;
  set particleradius 20.0;
  set pdbaddhydrogens false;
  set pdbgetheader false;
  set pdbsequential false;
  set percentvdwatom 23;
  set pickingspinrate 10;
  set propertyatomnumbercolumncount 0;
  set propertyatomnumberfield 0;
  set propertydatacolumncount 0;
  set propertydatafield 0;
  set quaternionframe "p";
  set rangeselected false;
  set ribbonaspectratio 16;
  set ribbonborder false;
  set rocketbarrels false;
  set sheetsmoothing 1.0;
  set showhiddenselectionhalos false;
  set showhydrogens true;
  set showmeasurements true;
  set showmodulationvectors false;
  set showmultiplebonds true;
  set shownavigationpointalways false;
  set showunitcelldetails true;
  set slabbyatom false;
  set slabbymolecule false;
  set smallmoleculemaxatoms 40000;
  set smartaromatic true;
  set solventprobe false;
  set solventproberadius 1.2;
  set ssbondsbackbone false;
  set starwidth 0.05;
  set stereodegrees -5;
  set strandcountformeshribbon 7;
  set strandcountforstrands 5;
  set strutdefaultradius 0.3;
  set strutlengthmaximum 7.0;
  set strutsmultiple false;
  set strutspacing 6;
  set tracealpha true;
  set translucent true;
  set twistedsheets false;
  set usenumberlocalization true;
  set vectorscale 1.0;
  set vectorscentered false;
  set vectorsymmetry false;
  set vectortrail 0;
  set vibrationscale 0.5;
  set waitformoveto true;
  set wireframerotation false;
  set zdepth 0;
  set zoomheight false;
  set zoomlarge true;
  set zslab 50;

}

function _setModelState() {

  structure none ({0:74})    	# model=1.1;
  select ({69:74});
  Spacefill 0.5;
  select ({0:68});
  Spacefill 0.1;
  select BONDS ({0:70});
  wireframe 0.25;

  measures delete;
  measure ({74}) ({55}); # distance 	3.02 	"3.02 \u00c5" 	[GOL]604:A.O3 #3998 	[GLN]258:A.NE2 #2029;
  measure ({74}) ({47}); # distance 	2.88 	"2.88 \u00c5" 	[GOL]604:A.O3 #3998 	[ASP]257:A.OD2 #2020;
  measure ({72}) ({0}); # distance 	2.79 	"2.79 \u00c5" 	[GOL]604:A.O2 #3996 	[ARG]87:A.N #665;
  measure ({70}) ({19}); # distance 	2.57 	"2.57 \u00c5" 	[GOL]604:A.O1 #3994 	[GLU]88:A.OE2 #684;
  measure ({34}) ({14}); # distance 	4.15 	"4.15 \u00c5" 	[SER]144:A.N #1129 	[GLU]88:A.O #679;
  measure ({30}) ({69}); # distance 	4.05 	"4.05 \u00c5" 	[TRP]107:A.NE1 #839 	[GOL]604:A.C1 #3993;
  measure ({63}) ({73}); # distance 	5.73 	"5.73 \u00c5" 	[PHE]282:A.CD1 #2201 	[GOL]604:A.C3 #3997;
  font measures 18.0 SansSerif Plain;

  hover "%U";

  frank on;
  font frank 16.0 SansSerif Plain;
  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 {-11.082 -9.228 -2.1439998} {9.457 5.311 5.9229994} # volume = 2408.9392;
  center {-0.8125 -1.9584999 1.8894999};
   moveto -1.0 {0 0 1 0} 100.0 0.0 0.0 {-0.8125 -1.9584999 1.8894999} 13.661091 {0 0 0} 0 0 0 3.0 0.0 0.0;
  save orientation "default";
  moveto 0.0 { 685 -710 162 160.16} 65.75 0.0 0.0 {-0.8125 -1.9584999 1.8894999} 13.661091 {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 ({69:74});
  set hideNotSelected false;
  SelectionHalos ON;
}

function _setState() {
  initialize;
  set refreshing false;
  _setWindowState;
  _setFileState;
  _setParameterState;
  _setModelState;
  _setPerspectiveState;
  _setSelectionState;
  set refreshing true;
  set antialiasDisplay true;
  set antialiasTranslucent true;
  set antialiasImages true;
}

_setState;