# Jmol state version 16.2.21  2024-07-26 08:09;

function _setWindowState() {
# width 840;
# height 613;
  stateVersion = 1602021;
  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 1;
}

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-16.2.21";
  #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*/"file:/Users/joel/Documents/Res_Projs/Proteopedia/Proteopedia_I3DC/005_e41fac992bec980922b1e95890b8a320/005_Fig_7a _smaller.pse" /*options*/  FILTER "DORESIZE";

}

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 "Jmol";
  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 cartoonsfancy true;
  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 true;
  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 modulationscale 1.0;
  set monitorenergy false;
  set multiplebondbananas false;
  set multiplebondradiusfactor 0.0;
  set multiplebondspacing -1.0;
  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 false;
  set twistedsheets false;
  set usenumberlocalization true;
  set vectorscale 1.0;
  set vectorscentered false;
  set vectorsymmetry false;
  set vectortrail 0;
  set vibrationscale 1.0;
  set waitformoveto true;
  set wireframerotation false;
  set zdepth 15;
  set zoomheight true;
  set zoomlarge true;
  set zslab 53;

# 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 ({0:2285});
  color atoms opaque [x0000ff];
  select ({2286:3418});
  color atoms opaque [xff00ff];
  select ({0:3418});
  Spacefill 0.0;
  select BONDS ({0:3471});
  wireframe 0.0;

  select ({700});
  label "BB-Loop";set labelOffset [1.0, 2.0, 0.0, 0.0, 0.0, 0.0, 0.0];
  select ({272});
  label "\u03b1A";set labelOffset [1.0, -2.5, 0.0, 0.0, 0.0, 0.0, 0.0];
  select ({972});
  label "\u03b2B";set labelOffset [1.0, -4.0, 0.0, 0.0, 0.0, 0.0, 0.0];
  select ({1392});
  label "CD-Loop";set labelOffset [1.0, 4.0, 0.0, 0.0, 0.0, 0.0, 0.0];
  select ({2138});
  label "\u03b1E";set labelOffset [1.0, 2.5, -0.5, 0.0, 0.0, 0.0, 0.0];
  select ({1313});
  label "\u03b1C";set labelOffset [1.0, 2.5, 0.0, 0.0, 0.0, 0.0, 0.0];
  select ({1533});
  label "\u03b2D";set labelOffset [1.0, 0.0, -2.5, 0.0, 0.0, 0.0, 0.0];
  select ({272 700 972 1313 1392 1533 2138});
  color label [x000000];
  try{
  select ({272 700 972 1313 1392 1533 2138});
  font label -2.0 SansSerif Bold;
  }catch{}

  select ({70:129 545:590 971:1059 1513:1583 2325:2354 2564:2577 2774:2820 3045:3084 3230:3243});
  Cartoon 1.4;
  select ({187:413 771:911 1111:1167 1179:1390 2022:2251 2386:2499 2578:2624 2664:2756 2821:2871 2878:3015 3157:3196 3284:3397});
  Cartoon 1.2;
  select ({0:69 130:186 414:544 591:770 912:970 1060:1110 1168:1178 1391:1512 1584:2021 2252:2324 2355:2385 2500:2563 2625:2663 2757:2773 2872:2877 3016:3044 3085:3156 3197:3229 3244:3283 3398:3418});
  Cartoon 0.2;
  select ({0:3418});

  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 2.335641;
  boundbox corners {-6.5925865 -12.328999 22.288918} {35.862415 30.781998 58.440918} # volume = 66168.195;
  center {10.187819 8.415744 38.27355};
   moveto -1.0 { 77 -996 -45 93.98} 100.0 0.0 0.0 {10.187819 8.415744 38.27355} 37.360386 {0 0 0} 0 0 0 2.34 0.0 0.0;
  save orientation "default";
  moveto 0.0 { 77 -996 -45 93.98} 100.0 0.0 0.0 {10.187819 8.415744 38.27355} 37.360386 {0 0 0} 0 0 0 2.34 0.0 0.0;;
  slab 85;depth 15;slab on;
  set slabRange 0.0;
  set zShade true;
  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 ({0:3418});
  set hideNotSelected false;
}

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;