icn3d 3.25.8 → 3.25.10
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 +108 -78
- package/icn3d.min.js +3 -3
- package/icn3d.module.js +108 -78
- package/package.json +1 -1
package/icn3d.module.js
CHANGED
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@@ -8210,14 +8210,14 @@ class ClickMenu {
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8210
8210
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thisClass.setLogCmd('ig refnum on', true);
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8211
8211
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await ic.refnumCls.showIgRefNum();
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8212
8212
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8213
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-
if(ic.bShowRefnum) {
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8214
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-
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8215
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-
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8213
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+
// if(ic.bShowRefnum) {
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8214
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+
// ic.opts.color = 'ig strand';
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8215
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+
// ic.setColorCls.setColorByOptions(ic.opts, ic.atoms);
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8216
8216
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8217
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-
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8218
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-
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8219
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-
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8220
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-
}
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8217
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+
// ic.selectionCls.selectAll_base();
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8218
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+
// ic.hlUpdateCls.updateHlAll();
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8219
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+
// ic.drawCls.draw();
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8220
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+
// }
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8221
8221
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});
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8222
8222
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8223
8223
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me.myEventCls.onIds("#" + me.pre + "mn6_igrefNo", "click", async function(e) { let ic = me.icn3d; e.preventDefault();
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@@ -10297,8 +10297,8 @@ class SetMenu {
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10297
10297
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//}
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10298
10298
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10299
10299
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//!!!
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10300
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-
//
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10301
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-
//
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10300
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+
//html += this.getRadio('mn4_clr', 'mn4_clrIgstrand', 'Ig Strand', undefined, undefined, 2);
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10301
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+
//html += this.getRadio('mn4_clr', 'mn4_clrIgproto', 'Ig Protodomain', undefined, undefined, 2);
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10302
10302
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}
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10303
10303
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else {
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10304
10304
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//if(!me.cfg.hidelicense) html += this.getRadio('mn4_clr', 'mn1_delphi2', 'DelPhi<br><span style="padding-left:1.5em;">Potential ' + me.htmlCls.licenseStr + '</span>');
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@@ -35575,25 +35575,27 @@ class SetColor {
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35575
35575
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case 'ig strand':
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35576
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if(ic.bShowRefnum) {
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35577
35577
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let color;
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35578
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-
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35579
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-
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35578
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+
let residueHash = ic.firstAtomObjCls.getResiduesFromAtoms(atoms);
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35579
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+
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35580
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+
for(let resid in residueHash) {
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35581
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+
if(!ic.resid2refnum[resid]) {
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35580
35582
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color = me.parasCls.thr('#FFFFFF');
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35581
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}
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35582
35584
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else {
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35583
35585
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let refnumLabel = ic.resid2refnum[resid];
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35584
35586
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35585
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-
if(!refnumLabel) {
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35586
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-
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35587
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-
}
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35588
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-
else {
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35589
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-
let refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').substr(1); // C', C''
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35587
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// if(!refnumLabel) {
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35588
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// color = me.parasCls.thr(me.htmlCls.GREYB);
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35589
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// }
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35590
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// else {
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35591
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+
let refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').replace(/\+/g, '').replace(/\-/g, '').substr(1); // C', C''
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35590
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let currStrand = refnumLabel.replace(new RegExp(refnumStr,'g'), '');
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35591
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color = ic.showSeqCls.getRefnumColor(currStrand);
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35592
35594
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35593
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-
if(ic.residIgLoop.hasOwnProperty(resid)) {
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35595
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+
if(ic.residIgLoop.hasOwnProperty(resid)) {
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35594
35596
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color = me.parasCls.thr(me.htmlCls.GREYB);
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35595
35597
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}
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35596
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-
}
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35598
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+
// }
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35597
35599
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}
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35598
35600
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35599
35601
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for (let i in ic.residues[resid]) {
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@@ -35610,7 +35612,8 @@ class SetColor {
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35610
35612
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case 'ig protodomain':
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35611
35613
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if(ic.bShowRefnum) {
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35612
35614
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let color;
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35613
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-
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35615
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+
let residueHash = ic.firstAtomObjCls.getResiduesFromAtoms(atoms);
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35616
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+
for(let resid in residueHash) {
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35614
35617
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if(!ic.resid2refnum[resid]) {
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35615
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color = me.parasCls.thr('#FFFFFF');
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35616
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}
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@@ -35621,7 +35624,7 @@ class SetColor {
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35621
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color = me.parasCls.thr(me.htmlCls.GREYB);
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35622
35625
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}
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35623
35626
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else {
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35624
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-
let refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').substr(1); // C', C''
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35627
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+
let refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').replace(/\+/g, '').replace(/\-/g, '').substr(1); // C', C''
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35625
35628
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let currStrand = refnumLabel.replace(new RegExp(refnumStr,'g'), '');
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35626
35629
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color = ic.showSeqCls.getProtodomainColor(currStrand);
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35627
35630
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@@ -36563,9 +36566,9 @@ class SetOption {
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36563
36566
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let html = '';
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36564
36567
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36565
36568
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const name2color = {
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36566
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-
//"A
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36569
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+
//"A- Strand": "FF00FF",
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36567
36570
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"A Strand": "663399",
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36568
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-
//"A
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36571
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+
//"A+ Strand": "663399", //"FFC0CB",
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36569
36572
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"A' Strand": "663399", //"9370db",
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36570
36573
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"B Strand": "ba55d3",
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36571
36574
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"C Strand": "0000FF",
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@@ -36575,7 +36578,7 @@ class SetOption {
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36575
36578
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"E Strand": "FFFF00", //"F0E68C",
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36576
36579
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"F Strand": "FFA500",
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36577
36580
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"G Strand": "FF0000",
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36578
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-
//"G
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36581
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+
//"G+ Strand": "8B0000",
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36579
36582
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"Loop": "CCCCCC"
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36580
36583
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};
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36581
36584
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@@ -41753,10 +41756,12 @@ class ShowAnno {
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41753
41756
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41754
41757
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if(ic.bShowRefnum) {
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41755
41758
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ic.opts.color = 'ig strand';
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41756
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-
ic.setColorCls.setColorByOptions(ic.opts, ic.atoms);
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41759
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+
//ic.setColorCls.setColorByOptions(ic.opts, ic.atoms);
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41760
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+
ic.setColorCls.setColorByOptions(ic.opts, ic.dAtoms);
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41757
41761
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41758
41762
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ic.selectionCls.selectAll_base();
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41759
41763
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ic.hlUpdateCls.updateHlAll();
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41764
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+
//ic.drawCls.draw();
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41760
41765
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}
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41761
41766
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}
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41762
41767
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@@ -42842,7 +42847,7 @@ class ShowSeq {
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42842
42847
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}
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42843
42848
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42844
42849
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if(refnumLabel) {
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42845
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-
refnumStr_ori = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').substr(1); // C', C''
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42850
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+
refnumStr_ori = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').replace(/\+/g, '').replace(/\-/g, '').substr(1); // C', C''
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42846
42851
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currStrand = refnumLabel.replace(new RegExp(refnumStr_ori,'g'), '');
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42847
42852
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refnumStr_ori.substr(0, 1);
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42848
42853
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@@ -42925,18 +42930,18 @@ class ShowSeq {
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42925
42930
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for(let il = strandArray.length, i = il - 1; i >= 0; --i) {
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42926
42931
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if(strandArray[i].endRefnum - strandArray[i].startRefnum + 1 < 3) { // remove the strand
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42927
42932
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if(i != il - 1) { // modify
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42928
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-
strandArray[i + 1].loopResCnt += strandArray[i].endRefnum - strandArray[i].startRefnum + 1;
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42933
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+
strandArray[i + 1].loopResCnt += strandArray[i].loopResCnt + strandArray[i].endRefnum - strandArray[i].startRefnum + 1;
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42929
42934
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}
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42930
42935
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42931
42936
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strandArray.splice(i, 1);
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42932
42937
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}
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42933
42938
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}
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42934
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-
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42939
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+
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42935
42940
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// 3. assign refnumLabel for each resid
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42936
42941
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strandCnt = 0;
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42937
42942
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let loopCnt = 0;
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42938
42943
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42939
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-
let
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42944
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+
let bBeforeAstrand = true, bAfterGstrand = true, refnumLabelNoPostfix, prevStrandCnt = 0, currRefnum;
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42940
42945
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bStart = false;
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42941
42946
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let refnumInStrand = 0;
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42942
42947
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if(strandArray.length > 0) {
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@@ -42948,14 +42953,14 @@ class ShowSeq {
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42948
42953
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currStrand = strandArray[strandCnt].strand;
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42949
42954
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42950
42955
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if(refnumLabel) {
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42951
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-
refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').substr(1); // C', C''
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42956
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+
refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').replace(/\+/g, '').replace(/\-/g, '').substr(1); // C', C''
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42952
42957
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currRefnum = parseInt(refnumStr);
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42953
42958
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refnumLabelNoPostfix = currStrand + currRefnum;
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42954
42959
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|
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42955
42960
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let firstChar = refnumLabel.substr(0,1);
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42956
42961
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if(!bStart && (firstChar == ' ' || firstChar == 'A' || firstChar == 'B')) { // start of a new IG domain
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42957
42962
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bStart = true;
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42958
|
-
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|
42963
|
+
bBeforeAstrand = true;
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42959
42964
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loopCnt = 0;
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42960
42965
|
}
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42961
42966
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}
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@@ -42970,29 +42975,48 @@ class ShowSeq {
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|
|
42970
42975
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if(parseInt(currResi) < parseInt(strandArray[strandCnt].startResi)) {
|
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42971
42976
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ic.residIgLoop[residueid] = 1;
|
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42972
42977
|
|
|
42973
|
-
if(
|
|
42978
|
+
if(bBeforeAstrand) { // make it continuous to the 1st strand
|
|
42974
42979
|
if(bStart) {
|
|
42975
42980
|
currRefnum = strandArray[strandCnt].startRefnum - strandArray[strandCnt].loopResCnt + loopCnt;
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42976
42981
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refnumLabelNoPostfix = strandArray[strandCnt].strand + currRefnum;
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42977
42982
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refnumLabel = refnumLabelNoPostfix + strandArray[strandCnt].strandPostfix;
|
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42978
|
-
}
|
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42983
|
+
}
|
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42984
|
+
else {
|
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42985
|
+
//loopCnt = 0;
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42986
|
+
refnumLabelNoPostfix = undefined;
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42987
|
+
refnumLabel = undefined;
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42988
|
+
}
|
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42979
42989
|
}
|
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42980
42990
|
else {
|
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42981
|
-
//currStrand = strandArray[prevStrandCnt].strand;
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42982
|
-
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42983
42991
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if(prevStrandCnt >= 0 && strandArray[prevStrandCnt].strand.substr(0, 1) == 'G') {
|
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42984
|
-
if(
|
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42985
|
-
|
|
42986
|
-
refnumLabelNoPostfix =
|
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42987
|
-
refnumLabel =
|
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42992
|
+
if(!bAfterGstrand) {
|
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42993
|
+
//loopCnt = 0;
|
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42994
|
+
refnumLabelNoPostfix = undefined;
|
|
42995
|
+
refnumLabel = undefined;
|
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42988
42996
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}
|
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42989
42997
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else {
|
|
42990
|
-
bStart
|
|
42991
|
-
|
|
42992
|
-
|
|
42998
|
+
if(bStart && ic.resid2refnum[residueid]) {
|
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42999
|
+
bAfterGstrand = true;
|
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43000
|
+
|
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43001
|
+
currRefnum = strandArray[prevStrandCnt].endRefnum + loopCnt;
|
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43002
|
+
refnumLabelNoPostfix = strandArray[prevStrandCnt].strand + currRefnum;
|
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43003
|
+
refnumLabel = refnumLabelNoPostfix + strandArray[prevStrandCnt].strandPostfix;
|
|
43004
|
+
}
|
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43005
|
+
else {
|
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43006
|
+
bStart = false;
|
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43007
|
+
bBeforeAstrand = true;
|
|
43008
|
+
//loopCnt = 0;
|
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43009
|
+
|
|
43010
|
+
bAfterGstrand = false;
|
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43011
|
+
|
|
43012
|
+
refnumLabelNoPostfix = undefined;
|
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43013
|
+
refnumLabel = undefined;
|
|
43014
|
+
}
|
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42993
43015
|
}
|
|
42994
43016
|
}
|
|
42995
43017
|
else {
|
|
43018
|
+
bAfterGstrand = true; // reset
|
|
43019
|
+
|
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42996
43020
|
let len = strandArray[strandCnt].loopResCnt;
|
|
42997
43021
|
let halfLen = parseInt(len / 2.0 + 0.5);
|
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42998
43022
|
|
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@@ -43010,8 +43034,10 @@ class ShowSeq {
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43010
43034
|
}
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43011
43035
|
}
|
|
43012
43036
|
else if(parseInt(currResi) >= parseInt(strandArray[strandCnt].startResi) && parseInt(currResi) <= parseInt(strandArray[strandCnt].endResi)) {
|
|
43013
|
-
|
|
43014
|
-
|
|
43037
|
+
// not in loop any more if you assign ref numbers multiple times
|
|
43038
|
+
delete ic.residIgLoop[residueid];
|
|
43039
|
+
|
|
43040
|
+
bBeforeAstrand = false;
|
|
43015
43041
|
|
|
43016
43042
|
if(strandArray[strandCnt].anchorRefnum) { // use anchor to name refnum
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|
43017
43043
|
if(currResi == strandArray[strandCnt].startResi) {
|
|
@@ -43038,23 +43064,20 @@ class ShowSeq {
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|
|
43038
43064
|
else if(parseInt(currResi) > parseInt(strandArray[strandCnt].endResi)) {
|
|
43039
43065
|
ic.residIgLoop[residueid] = 1;
|
|
43040
43066
|
|
|
43041
|
-
if(!
|
|
43067
|
+
if(!bAfterGstrand) {
|
|
43042
43068
|
refnumLabelNoPostfix = undefined;
|
|
43043
43069
|
refnumLabel = undefined;
|
|
43044
43070
|
}
|
|
43045
43071
|
else {
|
|
43046
43072
|
// C-terminal
|
|
43047
43073
|
if(!ic.resid2refnum[residueid]) {
|
|
43048
|
-
|
|
43049
|
-
|
|
43050
|
-
bCterminal = false;
|
|
43051
|
-
//bNterminal = true; // The next will be N-terminal
|
|
43074
|
+
bAfterGstrand = false;
|
|
43052
43075
|
|
|
43053
43076
|
refnumLabelNoPostfix = undefined;
|
|
43054
43077
|
refnumLabel = undefined;
|
|
43055
43078
|
}
|
|
43056
43079
|
else {
|
|
43057
|
-
|
|
43080
|
+
bAfterGstrand = true;
|
|
43058
43081
|
|
|
43059
43082
|
currRefnum = strandArray[strandCnt].endRefnum + loopCnt;
|
|
43060
43083
|
refnumLabelNoPostfix = strandArray[strandCnt].strand + currRefnum;
|
|
@@ -43102,7 +43125,7 @@ class ShowSeq {
|
|
|
43102
43125
|
let bHidelabel = false;
|
|
43103
43126
|
|
|
43104
43127
|
if(refnumLabel) {
|
|
43105
|
-
refnumStr_ori = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').substr(1); // C', C''
|
|
43128
|
+
refnumStr_ori = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').replace(/\+/g, '').replace(/\-/g, '').substr(1); // C', C''
|
|
43106
43129
|
currStrand = refnumLabel.replace(new RegExp(refnumStr_ori,'g'), '');
|
|
43107
43130
|
currStrand_ori = currStrand;
|
|
43108
43131
|
|
|
@@ -43190,7 +43213,8 @@ class ShowSeq {
|
|
|
43190
43213
|
let color = this.getRefnumColor(currStrand, true);
|
|
43191
43214
|
let colorStr = (!bLoop) ? 'style="color:' + color + '; text-decoration: underline overline;"' : 'style="color:' + color + '"';
|
|
43192
43215
|
|
|
43193
|
-
let
|
|
43216
|
+
let lastTwoStr = refnum.substr(refnum.length - 2, 2);
|
|
43217
|
+
let lastTwo = parseInt(lastTwoStr);
|
|
43194
43218
|
parseInt(refnum.substr(refnum.length - 3, 3));
|
|
43195
43219
|
|
|
43196
43220
|
let html = '';
|
|
@@ -43203,7 +43227,7 @@ class ShowSeq {
|
|
|
43203
43227
|
}
|
|
43204
43228
|
else if(refnumLabel && lastTwo % 2 == 0 && lastTwo != 52 && !bHidelabel) { // don't show label for the first, middle, and last loop residues
|
|
43205
43229
|
// e.g., 2152a
|
|
43206
|
-
|
|
43230
|
+
lastTwoStr = isNaN(refnumStr) ? lastTwoStr + refnumStr.substr(refnumStr.length - 1, 1) : lastTwoStr;
|
|
43207
43231
|
html += '<span ' + colorStr + ' title="' + refnumLabel + '">' + lastTwoStr + '</span>';
|
|
43208
43232
|
}
|
|
43209
43233
|
else {
|
|
@@ -43214,15 +43238,14 @@ class ShowSeq {
|
|
|
43214
43238
|
}
|
|
43215
43239
|
|
|
43216
43240
|
getRefnumColor(currStrand, bText) { let ic = this.icn3d, me = ic.icn3dui;
|
|
43217
|
-
|
|
43218
|
-
|
|
43219
|
-
|
|
43220
|
-
|
|
43221
|
-
|
|
43222
|
-
if(currStrand == "A") {
|
|
43241
|
+
if(currStrand == "A-") {
|
|
43242
|
+
return '#663399';
|
|
43243
|
+
}
|
|
43244
|
+
else if(currStrand == "A") {
|
|
43223
43245
|
return '#663399';
|
|
43224
43246
|
}
|
|
43225
|
-
else if(currStrand == "A*") {
|
|
43247
|
+
//else if(currStrand == "A*") {
|
|
43248
|
+
else if(currStrand == "A+") {
|
|
43226
43249
|
return '#663399'; //'#FFC0CB';
|
|
43227
43250
|
}
|
|
43228
43251
|
else if(currStrand == "A'") {
|
|
@@ -43252,7 +43275,7 @@ class ShowSeq {
|
|
|
43252
43275
|
else if(currStrand == "G") {
|
|
43253
43276
|
return '#FF0000';
|
|
43254
43277
|
}
|
|
43255
|
-
else if(currStrand == "G
|
|
43278
|
+
else if(currStrand == "G+") {
|
|
43256
43279
|
return '#8B0000';
|
|
43257
43280
|
}
|
|
43258
43281
|
else {
|
|
@@ -48675,7 +48698,7 @@ class ChainalignParser {
|
|
|
48675
48698
|
// reset annotations
|
|
48676
48699
|
$("#" + ic.pre + "dl_annotations").html("");
|
|
48677
48700
|
ic.bAnnoShown = false;
|
|
48678
|
-
if($('#' + ic.pre + 'dl_selectannotations').dialog( 'isOpen' )) {
|
|
48701
|
+
if($('#' + me.pre + 'dl_selectannotations').hasClass('ui-dialog-content') && $('#' + ic.pre + 'dl_selectannotations').dialog( 'isOpen' )) {
|
|
48679
48702
|
$('#' + ic.pre + 'dl_selectannotations').dialog( 'close' );
|
|
48680
48703
|
}
|
|
48681
48704
|
//});
|
|
@@ -62954,10 +62977,15 @@ class Dssp {
|
|
|
62954
62977
|
await thisClass.parseRefPdbData(ic.pdbDataArray);
|
|
62955
62978
|
}
|
|
62956
62979
|
else {
|
|
62957
|
-
//ic.refpdbArray = ['1bqu_fn3', '1cd8_igv', '1t6v_vnar', '1wio_c2', '1wio_igv', '2atp_a', '2atp_b', '2dm3_iset', '5esv_vh', '5esv_vl', '6al5_cd19', '7bz5_cl1', '7bz5_vh', '7bz5_vl'];
|
|
62958
62980
|
//ic.refpdbArray = ['1bqu_fn3', '1cd8_igv', '1cdh_cd4', '1dr9_cd80', '1hnf_cd2', '1hxm_d', '1hxm_g', '1ifr_lamin', '1ncn_cd86', '1t6v_vnar', '1yjd_cd28', '2atp_a', '2atp_b', '2dm3_iset', '3kys_tead1', '3pv7_ncr', '4f9l_cd277', '4gos_vtc', '4i0k_cd276', '4jqi_b', '4z18_cd274', '4zqk_pd1', '4zt1_e', '5esv_vh', '5esv_vl', '6al5_cd19', '6jxr_a', '6jxr_b', '6jxr_d', '6jxr_e', '6jxr_g', '6oil_vista', '6rp8_at', '6rp8_t', '6umt_cd273', '6x4g_cd275', '6x4g_icos', '7xq8_a', '7xq8_b', 'q71h61_ild', 'q9um44_hhl', 'p42081_cd86', 'q7z7d3_vtc', '1bqu_x', '1cdh_x', '1hnf_x', '1hxm_dx', '1hxm_gx', '4jqi_x', '4zt1_x', '5esv_vhx', '5esv_vlx', '6jxr_ax', '6jxr_bx', '1dr9_x', '3pv7_x', '4f9l_x', '4iok_x', '4z18_x', '6x4g_cd275x', 'q9um44_x'];
|
|
62959
62981
|
|
|
62960
|
-
ic.refpdbArray = ['1bqu_fn3', '1cd8_igv', '1cdh_cd4', '1dr9_cd80', '1hnf_cd2', '1hxm_d', '1hxm_g', '1ifr_lamin', '1ncn_cd86', '1t6v_vnar', '1yjd_cd28', '2atp_a', '2atp_b', '2dm3_iset', '3kys_tead1', '3pv7_ncr', '4f9l_cd277', '4gos_vtc', '4i0k_cd276', '4jqi_b', '4z18_cd274', '4zqk_pd1', '4zt1_e', '5esv_vh', '5esv_vl', '6al5_cd19', '6jxr_a', '6jxr_b', '6jxr_d', '6jxr_e', '6jxr_g', '6oil_vista', '6rp8_at', '6rp8_t', '6umt_cd273', '6x4g_cd275', '6x4g_icos', '7xq8_a', '7xq8_b', 'q71h61_ild', 'q9um44_hhl'];
|
|
62982
|
+
//ic.refpdbArray = ['1bqu_fn3', '1cd8_igv', '1cdh_cd4', '1dr9_cd80', '1hnf_cd2', '1hxm_d', '1hxm_g', '1ifr_lamin', '1ncn_cd86', '1t6v_vnar', '1yjd_cd28', '2atp_a', '2atp_b', '2dm3_iset', '3kys_tead1', '3pv7_ncr', '4f9l_cd277', '4gos_vtc', '4i0k_cd276', '4jqi_b', '4z18_cd274', '4zqk_pd1', '4zt1_e', '5esv_vh', '5esv_vl', '6al5_cd19', '6jxr_a', '6jxr_b', '6jxr_d', '6jxr_e', '6jxr_g', '6oil_vista', '6rp8_at', '6rp8_t', '6umt_cd273', '6x4g_cd275', '6x4g_icos', '7xq8_a', '7xq8_b', 'q71h61_ild', 'q9um44_hhl'];
|
|
62983
|
+
|
|
62984
|
+
//ic.refpdbArray = ['ASF1A_2iijA_human', 'BArrestin1_4jqiA_rat_n1', 'BTLA_2aw2A_human_Iset', 'C3_2qkiD_human_n1', 'CD19_6al5A_human_C2orV-n1', 'CD2_1hnfA_human_C2-n2', 'CD2_1hnfA_human_V-n1', 'CD8a_1cd8A_human_V', 'CoAtomerGamma1_1r4xA_human', 'Contactin1_3s97C_human_C2-n2', 'CuZnSuperoxideDismutase_1hl5C_human', 'ECadherin_4zt1A_human_n2', 'Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4', 'FAB-HEAVY_5esv_C1-n2', 'FAB-HEAVY_5esv_V-n1', 'FAB-LIGHT_5esv_C1-n2', 'FAB-LIGHT_5esv_V-n1', 'GHR_1axiB_human_FN3-n1', 'ICOS_6x4gA_human_V', 'IL6Rb_1bquB_human_FN3-n2', 'InsulinR_8guyE_human_FN3-n2', 'IsdA_2iteA_bacteria', 'LAG3_7tzgD_human_C2-n2', 'LAG3_7tzgD_human_V-n1', 'LaminAC_1ifrA_human', 'MHCIa_7phrH_human_C1', 'MPT63_1lmiA_bacteria', 'NaKATPaseTransporterBeta_2zxeB_spurdogshark', 'PD1_4zqkB_human_V', 'PDL1_4z18B_human_V-n1', 'Palladin_2dm3A_human_Iset-n1', 'RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2', 'TCRa_6jxrm_human_C1-n2', 'TCRa_6jxrm_human_V-n1', 'TEAD1_3kysC_human', 'TP34_2o6cA_bacteria', 'Titin_4uowM_human_Unk-n152', 'VISTA_6oilA_human_V', 'VNAR_1t6vN_shark_V', 'VTCN1_Q7Z7D3_human_V-n2'];
|
|
62985
|
+
|
|
62986
|
+
//ic.refpdbArray2 = ['B2Microglobulin_7phrL_human_C1.pdb', 'Contactin1_2ee2A_human_FN3-n9.pdb', 'IL6Rb_1bquB_human_FN3-n3.pdb', 'InsulinR_8guyE_human_FN3-n1.pdb', 'JAM1_1nbqA_human_VorIset-n2.pdb', 'NaCaExchanger_2fwuA_dog_n2.pdb', 'ORF7a_1xakA_virus.pdb', 'Sidekick2_1wf5A_human_FN3-n7.pdb', 'Siglec3_5j0bB_human_C2-n2.pdb', 'TP47_1o75A_bacteria.pdb'];
|
|
62987
|
+
|
|
62988
|
+
ic.refpdbArray = ['ASF1A_2iijA_human', 'BArrestin1_4jqiA_rat_n1', 'BTLA_2aw2A_human_Iset', 'C3_2qkiD_human_n1', 'CD19_6al5A_human_C2orV-n1', 'CD2_1hnfA_human_C2-n2', 'CD2_1hnfA_human_V-n1', 'CD8a_1cd8A_human_V', 'CoAtomerGamma1_1r4xA_human', 'Contactin1_3s97C_human_C2-n2', 'CuZnSuperoxideDismutase_1hl5C_human', 'ECadherin_4zt1A_human_n2', 'Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4', 'FAB-HEAVY_5esv_C1-n2', 'FAB-HEAVY_5esv_V-n1', 'FAB-LIGHT_5esv_C1-n2', 'FAB-LIGHT_5esv_V-n1', 'GHR_1axiB_human_FN3-n1', 'ICOS_6x4gA_human_V', 'IL6Rb_1bquB_human_FN3-n2', 'InsulinR_8guyE_human_FN3-n2', 'IsdA_2iteA_bacteria', 'LAG3_7tzgD_human_C2-n2', 'LAG3_7tzgD_human_V-n1', 'LaminAC_1ifrA_human', 'MHCIa_7phrH_human_C1', 'MPT63_1lmiA_bacteria', 'NaKATPaseTransporterBeta_2zxeB_spurdogshark', 'PD1_4zqkB_human_V', 'PDL1_4z18B_human_V-n1', 'Palladin_2dm3A_human_Iset-n1', 'RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2', 'TCRa_6jxrm_human_C1-n2', 'TCRa_6jxrm_human_V-n1', 'TEAD1_3kysC_human', 'TP34_2o6cA_bacteria', 'Titin_4uowM_human_Unk-n152', 'VISTA_6oilA_human_V', 'VNAR_1t6vN_shark_V', 'VTCN1_Q7Z7D3_human_V-n2', 'B2Microglobulin_7phrL_human_C1.pdb', 'Contactin1_2ee2A_human_FN3-n9.pdb', 'IL6Rb_1bquB_human_FN3-n3.pdb', 'InsulinR_8guyE_human_FN3-n1.pdb', 'JAM1_1nbqA_human_VorIset-n2.pdb', 'NaCaExchanger_2fwuA_dog_n2.pdb', 'ORF7a_1xakA_virus.pdb', 'Sidekick2_1wf5A_human_FN3-n7.pdb', 'Siglec3_5j0bB_human_C2-n2.pdb', 'TP47_1o75A_bacteria.pdb'];
|
|
62961
62989
|
|
|
62962
62990
|
if(ic.pdbDataArray) {
|
|
62963
62991
|
await thisClass.parseRefPdbData(ic.pdbDataArray);
|
|
@@ -63132,15 +63160,15 @@ class Dssp {
|
|
|
63132
63160
|
// find the best alignment for each chain
|
|
63133
63161
|
let domainid2score = {}, domainid2segs = {}, chainid2segs = {};
|
|
63134
63162
|
|
|
63135
|
-
|
|
63136
|
-
|
|
63137
|
-
|
|
63138
|
-
|
|
63163
|
+
if(!ic.chainid2index) ic.chainid2index = {};
|
|
63164
|
+
if(!ic.domainid2index) ic.domainid2index = {};
|
|
63165
|
+
if(!ic.domainid2ig2kabat) ic.domainid2ig2kabat = {};
|
|
63166
|
+
if(!ic.domainid2ig2imgt) ic.domainid2ig2imgt = {};
|
|
63139
63167
|
|
|
63140
|
-
ic.chainid2index = {};
|
|
63141
|
-
ic.domainid2index = {};
|
|
63142
|
-
ic.domainid2ig2kabat = {};
|
|
63143
|
-
ic.domainid2ig2imgt = {};
|
|
63168
|
+
// ic.chainid2index = {};
|
|
63169
|
+
// ic.domainid2index = {};
|
|
63170
|
+
// ic.domainid2ig2kabat = {};
|
|
63171
|
+
// ic.domainid2ig2imgt = {};
|
|
63144
63172
|
|
|
63145
63173
|
for(let i = 0, il = domainidpairArray.length; i < il; ++i) {
|
|
63146
63174
|
let queryData = dataArray[i].value; //[0];
|
|
@@ -63283,10 +63311,10 @@ if(!me.bNode) {
|
|
|
63283
63311
|
getLabelFromRefnum(oriRefnum, prevStrand, bCd19) { let ic = this.icn3d; ic.icn3dui;
|
|
63284
63312
|
let refnum = parseInt(oriRefnum);
|
|
63285
63313
|
|
|
63286
|
-
// A
|
|
63314
|
+
// A-: 10xx
|
|
63287
63315
|
// A: 11xx
|
|
63288
63316
|
// A': 12xx
|
|
63289
|
-
// A
|
|
63317
|
+
// A+: 13xx
|
|
63290
63318
|
// B: 21xx
|
|
63291
63319
|
// C: 32xx
|
|
63292
63320
|
// C': 42xx
|
|
@@ -63295,7 +63323,7 @@ if(!me.bNode) {
|
|
|
63295
63323
|
// E: 71xx
|
|
63296
63324
|
// F: 82xx
|
|
63297
63325
|
// G: 91xx, 92xx
|
|
63298
|
-
// G
|
|
63326
|
+
// G+: 94xx
|
|
63299
63327
|
|
|
63300
63328
|
// if(refnum < 100) return " " + oriRefnum;
|
|
63301
63329
|
// else if(refnum >= 100 && refnum < 1000) {
|
|
@@ -63304,10 +63332,11 @@ if(!me.bNode) {
|
|
|
63304
63332
|
// }
|
|
63305
63333
|
if(refnum < 900) return undefined;
|
|
63306
63334
|
else if(refnum >= 900 && refnum < 1000) return " " + oriRefnum;
|
|
63307
|
-
|
|
63308
|
-
else if(refnum >=
|
|
63335
|
+
else if(refnum >= 1000 && refnum < 1100) return "A-" + oriRefnum;
|
|
63336
|
+
else if(refnum >= 1100 && refnum < 1200) return "A" + oriRefnum;
|
|
63309
63337
|
else if(refnum >= 1200 && refnum < 1300) return "A'" + oriRefnum;
|
|
63310
|
-
else if(refnum >= 1300 && refnum < 1400) return "A*" + oriRefnum;
|
|
63338
|
+
//else if(refnum >= 1300 && refnum < 1400) return "A*" + oriRefnum;
|
|
63339
|
+
else if(refnum >= 1300 && refnum < 1400) return "A+" + oriRefnum;
|
|
63311
63340
|
else if(refnum >= 1400 && refnum < 2000) {
|
|
63312
63341
|
if(prevStrand && prevStrand.substr(0, 1) == 'A') {
|
|
63313
63342
|
return prevStrand + oriRefnum;
|
|
@@ -63324,7 +63353,8 @@ if(!me.bNode) {
|
|
|
63324
63353
|
else if(refnum >= 7000 && refnum < 8000) return "E" + oriRefnum;
|
|
63325
63354
|
else if(refnum >= 8000 && refnum < 9000) return "F" + oriRefnum;
|
|
63326
63355
|
else if(refnum >= 9000 && refnum < 9400) return "G" + oriRefnum;
|
|
63327
|
-
else if(refnum >= 9400 && refnum < 9500) return "G*" + oriRefnum;
|
|
63356
|
+
//else if(refnum >= 9400 && refnum < 9500) return "G*" + oriRefnum;
|
|
63357
|
+
else if(refnum >= 9400 && refnum < 9500) return "G+" + oriRefnum;
|
|
63328
63358
|
else if(refnum >= 9500) return "G" + oriRefnum;
|
|
63329
63359
|
}
|
|
63330
63360
|
|