icn3d 3.38.0 → 3.38.1
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/icn3d.js +9 -1
- package/icn3d.min.js +2 -2
- package/icn3d.module.js +9 -1
- package/package.json +1 -1
package/icn3d.module.js
CHANGED
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@@ -37848,6 +37848,10 @@ class Contact {
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37848
37848
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for(let i in atomlistTarget) {
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37849
37849
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//var oriAtom = atomlistTarget[i];
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37850
37850
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let oriAtom = ic.atoms[i];
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37851
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+
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37852
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+
// skip hydrogen atoms
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37853
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+
if(bInteraction && oriAtom.elem == 'H') continue;
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37854
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+
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37851
37855
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let r1 = me.parasCls.vdwRadii[oriAtom.elem.toUpperCase()];
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37852
37856
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let chainid1 = oriAtom.structure + '_' + oriAtom.chain;
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37853
37857
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@@ -37874,6 +37878,10 @@ class Contact {
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37874
37878
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37875
37879
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for (let j in neighbors) {
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37876
37880
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let atom = neighbors[j];
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37881
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+
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37882
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+
// skip hydrogen atoms
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37883
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if(bInteraction && atom.elem == 'H') continue;
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37884
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+
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37877
37885
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let r2 = me.parasCls.vdwRadii[atom.elem.toUpperCase()];
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37878
37886
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let chainid2 = atom.structure + '_' + atom.chain;
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37879
37887
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@@ -83329,7 +83337,7 @@ iCn3D.prototype.resetConfig = function () { let ic = this, me = ic.icn3dui;
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83329
83337
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this.opts['nucleotides'] = 'o3 trace';
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83330
83338
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}
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83331
83339
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83332
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-
if(me.cfg.cid !== undefined) {
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83340
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+
if(me.cfg.cid !== undefined || me.cfg.smiles !== undefined) {
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83333
83341
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this.opts['color'] = 'atom';
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83334
83342
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83335
83343
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this.opts['pk'] = 'atom';
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