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.js
CHANGED
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@@ -7309,14 +7309,14 @@ class ClickMenu {
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7309
7309
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thisClass.setLogCmd('ig refnum on', true);
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7310
7310
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await ic.refnumCls.showIgRefNum();
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7311
7311
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7312
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-
if(ic.bShowRefnum) {
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7313
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-
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7314
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-
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7312
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+
// if(ic.bShowRefnum) {
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7313
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+
// ic.opts.color = 'ig strand';
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7314
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+
// ic.setColorCls.setColorByOptions(ic.opts, ic.atoms);
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7315
7315
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7316
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-
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7317
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-
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7318
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-
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7319
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-
}
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7316
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+
// ic.selectionCls.selectAll_base();
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7317
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+
// ic.hlUpdateCls.updateHlAll();
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7318
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+
// ic.drawCls.draw();
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7319
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+
// }
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7320
7320
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});
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7321
7321
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7322
7322
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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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@@ -9396,8 +9396,8 @@ class SetMenu {
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9396
9396
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//}
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9397
9397
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9398
9398
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//!!!
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9399
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-
//
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9400
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-
//
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9399
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+
//html += this.getRadio('mn4_clr', 'mn4_clrIgstrand', 'Ig Strand', undefined, undefined, 2);
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9400
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+
//html += this.getRadio('mn4_clr', 'mn4_clrIgproto', 'Ig Protodomain', undefined, undefined, 2);
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9401
9401
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}
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9402
9402
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else {
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9403
9403
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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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@@ -34674,25 +34674,27 @@ class SetColor {
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34674
34674
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case 'ig strand':
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34675
34675
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if(ic.bShowRefnum) {
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34676
34676
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let color;
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34677
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-
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34678
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-
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34677
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+
let residueHash = ic.firstAtomObjCls.getResiduesFromAtoms(atoms);
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34678
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+
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34679
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+
for(let resid in residueHash) {
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34680
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+
if(!ic.resid2refnum[resid]) {
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34679
34681
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color = me.parasCls.thr('#FFFFFF');
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34680
34682
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}
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34681
34683
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else {
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34682
34684
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let refnumLabel = ic.resid2refnum[resid];
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34683
34685
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34684
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-
if(!refnumLabel) {
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34685
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-
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34686
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-
}
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34687
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-
else {
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34688
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-
let refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').substr(1); // C', C''
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34686
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+
// if(!refnumLabel) {
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34687
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// color = me.parasCls.thr(me.htmlCls.GREYB);
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34688
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+
// }
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34689
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+
// else {
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34690
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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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34689
34691
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let currStrand = refnumLabel.replace(new RegExp(refnumStr,'g'), '');
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34690
34692
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color = ic.showSeqCls.getRefnumColor(currStrand);
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34691
34693
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34692
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-
if(ic.residIgLoop.hasOwnProperty(resid)) {
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34694
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+
if(ic.residIgLoop.hasOwnProperty(resid)) {
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34693
34695
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color = me.parasCls.thr(me.htmlCls.GREYB);
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34694
34696
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}
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34695
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-
}
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34697
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+
// }
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34696
34698
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}
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34697
34699
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34698
34700
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for (let i in ic.residues[resid]) {
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@@ -34709,7 +34711,8 @@ class SetColor {
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34709
34711
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case 'ig protodomain':
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34710
34712
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if(ic.bShowRefnum) {
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34711
34713
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let color;
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34712
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-
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34714
|
+
let residueHash = ic.firstAtomObjCls.getResiduesFromAtoms(atoms);
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34715
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+
for(let resid in residueHash) {
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34713
34716
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if(!ic.resid2refnum[resid]) {
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34714
34717
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color = me.parasCls.thr('#FFFFFF');
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34715
34718
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}
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@@ -34720,7 +34723,7 @@ class SetColor {
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34720
34723
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color = me.parasCls.thr(me.htmlCls.GREYB);
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34721
34724
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}
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34722
34725
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else {
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34723
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-
let refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').substr(1); // C', C''
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34726
|
+
let refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').replace(/\+/g, '').replace(/\-/g, '').substr(1); // C', C''
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34724
34727
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let currStrand = refnumLabel.replace(new RegExp(refnumStr,'g'), '');
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34725
34728
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color = ic.showSeqCls.getProtodomainColor(currStrand);
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34726
34729
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@@ -35662,9 +35665,9 @@ class SetOption {
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35662
35665
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let html = '';
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35663
35666
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|
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35664
35667
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const name2color = {
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35665
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-
//"A
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35668
|
+
//"A- Strand": "FF00FF",
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35666
35669
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"A Strand": "663399",
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35667
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-
//"A
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35670
|
+
//"A+ Strand": "663399", //"FFC0CB",
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35668
35671
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"A' Strand": "663399", //"9370db",
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35669
35672
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"B Strand": "ba55d3",
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35670
35673
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"C Strand": "0000FF",
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@@ -35674,7 +35677,7 @@ class SetOption {
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35674
35677
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"E Strand": "FFFF00", //"F0E68C",
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35675
35678
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"F Strand": "FFA500",
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35676
35679
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"G Strand": "FF0000",
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35677
|
-
//"G
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35680
|
+
//"G+ Strand": "8B0000",
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35678
35681
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"Loop": "CCCCCC"
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35679
35682
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};
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35680
35683
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|
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@@ -40852,10 +40855,12 @@ class ShowAnno {
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|
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40852
40855
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|
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40853
40856
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if(ic.bShowRefnum) {
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40854
40857
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ic.opts.color = 'ig strand';
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40855
|
-
ic.setColorCls.setColorByOptions(ic.opts, ic.atoms);
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40858
|
+
//ic.setColorCls.setColorByOptions(ic.opts, ic.atoms);
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40859
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+
ic.setColorCls.setColorByOptions(ic.opts, ic.dAtoms);
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40856
40860
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|
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40857
40861
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ic.selectionCls.selectAll_base();
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40858
40862
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ic.hlUpdateCls.updateHlAll();
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40863
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+
//ic.drawCls.draw();
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40859
40864
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}
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40860
40865
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}
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40861
40866
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@@ -41941,7 +41946,7 @@ class ShowSeq {
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41941
41946
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}
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41942
41947
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|
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41943
41948
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if(refnumLabel) {
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41944
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-
refnumStr_ori = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').substr(1); // C', C''
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41949
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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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41945
41950
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currStrand = refnumLabel.replace(new RegExp(refnumStr_ori,'g'), '');
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41946
41951
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refnumStr_ori.substr(0, 1);
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41947
41952
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@@ -42024,18 +42029,18 @@ class ShowSeq {
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42024
42029
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for(let il = strandArray.length, i = il - 1; i >= 0; --i) {
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42025
42030
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if(strandArray[i].endRefnum - strandArray[i].startRefnum + 1 < 3) { // remove the strand
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42026
42031
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if(i != il - 1) { // modify
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42027
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-
strandArray[i + 1].loopResCnt += strandArray[i].endRefnum - strandArray[i].startRefnum + 1;
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42032
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+
strandArray[i + 1].loopResCnt += strandArray[i].loopResCnt + strandArray[i].endRefnum - strandArray[i].startRefnum + 1;
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42028
42033
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}
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42029
42034
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|
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42030
42035
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strandArray.splice(i, 1);
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42031
42036
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}
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42032
42037
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}
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42033
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-
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42038
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+
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42034
42039
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// 3. assign refnumLabel for each resid
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42035
42040
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strandCnt = 0;
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42036
42041
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let loopCnt = 0;
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42037
42042
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|
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42038
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-
let
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42043
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+
let bBeforeAstrand = true, bAfterGstrand = true, refnumLabelNoPostfix, prevStrandCnt = 0, currRefnum;
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42039
42044
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bStart = false;
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42040
42045
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let refnumInStrand = 0;
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42041
42046
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if(strandArray.length > 0) {
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@@ -42047,14 +42052,14 @@ class ShowSeq {
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42047
42052
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currStrand = strandArray[strandCnt].strand;
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42048
42053
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|
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42049
42054
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if(refnumLabel) {
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42050
|
-
refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').substr(1); // C', C''
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42055
|
+
refnumStr = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').replace(/\+/g, '').replace(/\-/g, '').substr(1); // C', C''
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42051
42056
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currRefnum = parseInt(refnumStr);
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42052
42057
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refnumLabelNoPostfix = currStrand + currRefnum;
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42053
42058
|
|
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42054
42059
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let firstChar = refnumLabel.substr(0,1);
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42055
42060
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if(!bStart && (firstChar == ' ' || firstChar == 'A' || firstChar == 'B')) { // start of a new IG domain
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42056
42061
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bStart = true;
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42057
|
-
|
|
42062
|
+
bBeforeAstrand = true;
|
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42058
42063
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loopCnt = 0;
|
|
42059
42064
|
}
|
|
42060
42065
|
}
|
|
@@ -42069,29 +42074,48 @@ class ShowSeq {
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|
|
42069
42074
|
if(parseInt(currResi) < parseInt(strandArray[strandCnt].startResi)) {
|
|
42070
42075
|
ic.residIgLoop[residueid] = 1;
|
|
42071
42076
|
|
|
42072
|
-
if(
|
|
42077
|
+
if(bBeforeAstrand) { // make it continuous to the 1st strand
|
|
42073
42078
|
if(bStart) {
|
|
42074
42079
|
currRefnum = strandArray[strandCnt].startRefnum - strandArray[strandCnt].loopResCnt + loopCnt;
|
|
42075
42080
|
refnumLabelNoPostfix = strandArray[strandCnt].strand + currRefnum;
|
|
42076
42081
|
refnumLabel = refnumLabelNoPostfix + strandArray[strandCnt].strandPostfix;
|
|
42077
|
-
}
|
|
42082
|
+
}
|
|
42083
|
+
else {
|
|
42084
|
+
//loopCnt = 0;
|
|
42085
|
+
refnumLabelNoPostfix = undefined;
|
|
42086
|
+
refnumLabel = undefined;
|
|
42087
|
+
}
|
|
42078
42088
|
}
|
|
42079
42089
|
else {
|
|
42080
|
-
//currStrand = strandArray[prevStrandCnt].strand;
|
|
42081
|
-
|
|
42082
42090
|
if(prevStrandCnt >= 0 && strandArray[prevStrandCnt].strand.substr(0, 1) == 'G') {
|
|
42083
|
-
if(
|
|
42084
|
-
|
|
42085
|
-
refnumLabelNoPostfix =
|
|
42086
|
-
refnumLabel =
|
|
42091
|
+
if(!bAfterGstrand) {
|
|
42092
|
+
//loopCnt = 0;
|
|
42093
|
+
refnumLabelNoPostfix = undefined;
|
|
42094
|
+
refnumLabel = undefined;
|
|
42087
42095
|
}
|
|
42088
42096
|
else {
|
|
42089
|
-
bStart
|
|
42090
|
-
|
|
42091
|
-
|
|
42097
|
+
if(bStart && ic.resid2refnum[residueid]) {
|
|
42098
|
+
bAfterGstrand = true;
|
|
42099
|
+
|
|
42100
|
+
currRefnum = strandArray[prevStrandCnt].endRefnum + loopCnt;
|
|
42101
|
+
refnumLabelNoPostfix = strandArray[prevStrandCnt].strand + currRefnum;
|
|
42102
|
+
refnumLabel = refnumLabelNoPostfix + strandArray[prevStrandCnt].strandPostfix;
|
|
42103
|
+
}
|
|
42104
|
+
else {
|
|
42105
|
+
bStart = false;
|
|
42106
|
+
bBeforeAstrand = true;
|
|
42107
|
+
//loopCnt = 0;
|
|
42108
|
+
|
|
42109
|
+
bAfterGstrand = false;
|
|
42110
|
+
|
|
42111
|
+
refnumLabelNoPostfix = undefined;
|
|
42112
|
+
refnumLabel = undefined;
|
|
42113
|
+
}
|
|
42092
42114
|
}
|
|
42093
42115
|
}
|
|
42094
42116
|
else {
|
|
42117
|
+
bAfterGstrand = true; // reset
|
|
42118
|
+
|
|
42095
42119
|
let len = strandArray[strandCnt].loopResCnt;
|
|
42096
42120
|
let halfLen = parseInt(len / 2.0 + 0.5);
|
|
42097
42121
|
|
|
@@ -42109,8 +42133,10 @@ class ShowSeq {
|
|
|
42109
42133
|
}
|
|
42110
42134
|
}
|
|
42111
42135
|
else if(parseInt(currResi) >= parseInt(strandArray[strandCnt].startResi) && parseInt(currResi) <= parseInt(strandArray[strandCnt].endResi)) {
|
|
42112
|
-
|
|
42113
|
-
|
|
42136
|
+
// not in loop any more if you assign ref numbers multiple times
|
|
42137
|
+
delete ic.residIgLoop[residueid];
|
|
42138
|
+
|
|
42139
|
+
bBeforeAstrand = false;
|
|
42114
42140
|
|
|
42115
42141
|
if(strandArray[strandCnt].anchorRefnum) { // use anchor to name refnum
|
|
42116
42142
|
if(currResi == strandArray[strandCnt].startResi) {
|
|
@@ -42137,23 +42163,20 @@ class ShowSeq {
|
|
|
42137
42163
|
else if(parseInt(currResi) > parseInt(strandArray[strandCnt].endResi)) {
|
|
42138
42164
|
ic.residIgLoop[residueid] = 1;
|
|
42139
42165
|
|
|
42140
|
-
if(!
|
|
42166
|
+
if(!bAfterGstrand) {
|
|
42141
42167
|
refnumLabelNoPostfix = undefined;
|
|
42142
42168
|
refnumLabel = undefined;
|
|
42143
42169
|
}
|
|
42144
42170
|
else {
|
|
42145
42171
|
// C-terminal
|
|
42146
42172
|
if(!ic.resid2refnum[residueid]) {
|
|
42147
|
-
|
|
42148
|
-
|
|
42149
|
-
bCterminal = false;
|
|
42150
|
-
//bNterminal = true; // The next will be N-terminal
|
|
42173
|
+
bAfterGstrand = false;
|
|
42151
42174
|
|
|
42152
42175
|
refnumLabelNoPostfix = undefined;
|
|
42153
42176
|
refnumLabel = undefined;
|
|
42154
42177
|
}
|
|
42155
42178
|
else {
|
|
42156
|
-
|
|
42179
|
+
bAfterGstrand = true;
|
|
42157
42180
|
|
|
42158
42181
|
currRefnum = strandArray[strandCnt].endRefnum + loopCnt;
|
|
42159
42182
|
refnumLabelNoPostfix = strandArray[strandCnt].strand + currRefnum;
|
|
@@ -42201,7 +42224,7 @@ class ShowSeq {
|
|
|
42201
42224
|
let bHidelabel = false;
|
|
42202
42225
|
|
|
42203
42226
|
if(refnumLabel) {
|
|
42204
|
-
refnumStr_ori = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').substr(1); // C', C''
|
|
42227
|
+
refnumStr_ori = refnumLabel.replace(/'/g, '').replace(/\*/g, '').replace(/\^/g, '').replace(/\+/g, '').replace(/\-/g, '').substr(1); // C', C''
|
|
42205
42228
|
currStrand = refnumLabel.replace(new RegExp(refnumStr_ori,'g'), '');
|
|
42206
42229
|
currStrand_ori = currStrand;
|
|
42207
42230
|
|
|
@@ -42289,7 +42312,8 @@ class ShowSeq {
|
|
|
42289
42312
|
let color = this.getRefnumColor(currStrand, true);
|
|
42290
42313
|
let colorStr = (!bLoop) ? 'style="color:' + color + '; text-decoration: underline overline;"' : 'style="color:' + color + '"';
|
|
42291
42314
|
|
|
42292
|
-
let
|
|
42315
|
+
let lastTwoStr = refnum.substr(refnum.length - 2, 2);
|
|
42316
|
+
let lastTwo = parseInt(lastTwoStr);
|
|
42293
42317
|
parseInt(refnum.substr(refnum.length - 3, 3));
|
|
42294
42318
|
|
|
42295
42319
|
let html = '';
|
|
@@ -42302,7 +42326,7 @@ class ShowSeq {
|
|
|
42302
42326
|
}
|
|
42303
42327
|
else if(refnumLabel && lastTwo % 2 == 0 && lastTwo != 52 && !bHidelabel) { // don't show label for the first, middle, and last loop residues
|
|
42304
42328
|
// e.g., 2152a
|
|
42305
|
-
|
|
42329
|
+
lastTwoStr = isNaN(refnumStr) ? lastTwoStr + refnumStr.substr(refnumStr.length - 1, 1) : lastTwoStr;
|
|
42306
42330
|
html += '<span ' + colorStr + ' title="' + refnumLabel + '">' + lastTwoStr + '</span>';
|
|
42307
42331
|
}
|
|
42308
42332
|
else {
|
|
@@ -42313,15 +42337,14 @@ class ShowSeq {
|
|
|
42313
42337
|
}
|
|
42314
42338
|
|
|
42315
42339
|
getRefnumColor(currStrand, bText) { let ic = this.icn3d, me = ic.icn3dui;
|
|
42316
|
-
|
|
42317
|
-
|
|
42318
|
-
|
|
42319
|
-
|
|
42320
|
-
|
|
42321
|
-
if(currStrand == "A") {
|
|
42340
|
+
if(currStrand == "A-") {
|
|
42341
|
+
return '#663399';
|
|
42342
|
+
}
|
|
42343
|
+
else if(currStrand == "A") {
|
|
42322
42344
|
return '#663399';
|
|
42323
42345
|
}
|
|
42324
|
-
else if(currStrand == "A*") {
|
|
42346
|
+
//else if(currStrand == "A*") {
|
|
42347
|
+
else if(currStrand == "A+") {
|
|
42325
42348
|
return '#663399'; //'#FFC0CB';
|
|
42326
42349
|
}
|
|
42327
42350
|
else if(currStrand == "A'") {
|
|
@@ -42351,7 +42374,7 @@ class ShowSeq {
|
|
|
42351
42374
|
else if(currStrand == "G") {
|
|
42352
42375
|
return '#FF0000';
|
|
42353
42376
|
}
|
|
42354
|
-
else if(currStrand == "G
|
|
42377
|
+
else if(currStrand == "G+") {
|
|
42355
42378
|
return '#8B0000';
|
|
42356
42379
|
}
|
|
42357
42380
|
else {
|
|
@@ -47774,7 +47797,7 @@ class ChainalignParser {
|
|
|
47774
47797
|
// reset annotations
|
|
47775
47798
|
$("#" + ic.pre + "dl_annotations").html("");
|
|
47776
47799
|
ic.bAnnoShown = false;
|
|
47777
|
-
if($('#' + ic.pre + 'dl_selectannotations').dialog( 'isOpen' )) {
|
|
47800
|
+
if($('#' + me.pre + 'dl_selectannotations').hasClass('ui-dialog-content') && $('#' + ic.pre + 'dl_selectannotations').dialog( 'isOpen' )) {
|
|
47778
47801
|
$('#' + ic.pre + 'dl_selectannotations').dialog( 'close' );
|
|
47779
47802
|
}
|
|
47780
47803
|
//});
|
|
@@ -62053,10 +62076,15 @@ class Dssp {
|
|
|
62053
62076
|
await thisClass.parseRefPdbData(ic.pdbDataArray);
|
|
62054
62077
|
}
|
|
62055
62078
|
else {
|
|
62056
|
-
//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'];
|
|
62057
62079
|
//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'];
|
|
62058
62080
|
|
|
62059
|
-
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'];
|
|
62081
|
+
//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'];
|
|
62082
|
+
|
|
62083
|
+
//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'];
|
|
62084
|
+
|
|
62085
|
+
//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'];
|
|
62086
|
+
|
|
62087
|
+
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'];
|
|
62060
62088
|
|
|
62061
62089
|
if(ic.pdbDataArray) {
|
|
62062
62090
|
await thisClass.parseRefPdbData(ic.pdbDataArray);
|
|
@@ -62231,15 +62259,15 @@ class Dssp {
|
|
|
62231
62259
|
// find the best alignment for each chain
|
|
62232
62260
|
let domainid2score = {}, domainid2segs = {}, chainid2segs = {};
|
|
62233
62261
|
|
|
62234
|
-
|
|
62235
|
-
|
|
62236
|
-
|
|
62237
|
-
|
|
62262
|
+
if(!ic.chainid2index) ic.chainid2index = {};
|
|
62263
|
+
if(!ic.domainid2index) ic.domainid2index = {};
|
|
62264
|
+
if(!ic.domainid2ig2kabat) ic.domainid2ig2kabat = {};
|
|
62265
|
+
if(!ic.domainid2ig2imgt) ic.domainid2ig2imgt = {};
|
|
62238
62266
|
|
|
62239
|
-
ic.chainid2index = {};
|
|
62240
|
-
ic.domainid2index = {};
|
|
62241
|
-
ic.domainid2ig2kabat = {};
|
|
62242
|
-
ic.domainid2ig2imgt = {};
|
|
62267
|
+
// ic.chainid2index = {};
|
|
62268
|
+
// ic.domainid2index = {};
|
|
62269
|
+
// ic.domainid2ig2kabat = {};
|
|
62270
|
+
// ic.domainid2ig2imgt = {};
|
|
62243
62271
|
|
|
62244
62272
|
for(let i = 0, il = domainidpairArray.length; i < il; ++i) {
|
|
62245
62273
|
let queryData = dataArray[i].value; //[0];
|
|
@@ -62382,10 +62410,10 @@ if(!me.bNode) {
|
|
|
62382
62410
|
getLabelFromRefnum(oriRefnum, prevStrand, bCd19) { let ic = this.icn3d; ic.icn3dui;
|
|
62383
62411
|
let refnum = parseInt(oriRefnum);
|
|
62384
62412
|
|
|
62385
|
-
// A
|
|
62413
|
+
// A-: 10xx
|
|
62386
62414
|
// A: 11xx
|
|
62387
62415
|
// A': 12xx
|
|
62388
|
-
// A
|
|
62416
|
+
// A+: 13xx
|
|
62389
62417
|
// B: 21xx
|
|
62390
62418
|
// C: 32xx
|
|
62391
62419
|
// C': 42xx
|
|
@@ -62394,7 +62422,7 @@ if(!me.bNode) {
|
|
|
62394
62422
|
// E: 71xx
|
|
62395
62423
|
// F: 82xx
|
|
62396
62424
|
// G: 91xx, 92xx
|
|
62397
|
-
// G
|
|
62425
|
+
// G+: 94xx
|
|
62398
62426
|
|
|
62399
62427
|
// if(refnum < 100) return " " + oriRefnum;
|
|
62400
62428
|
// else if(refnum >= 100 && refnum < 1000) {
|
|
@@ -62403,10 +62431,11 @@ if(!me.bNode) {
|
|
|
62403
62431
|
// }
|
|
62404
62432
|
if(refnum < 900) return undefined;
|
|
62405
62433
|
else if(refnum >= 900 && refnum < 1000) return " " + oriRefnum;
|
|
62406
|
-
|
|
62407
|
-
else if(refnum >=
|
|
62434
|
+
else if(refnum >= 1000 && refnum < 1100) return "A-" + oriRefnum;
|
|
62435
|
+
else if(refnum >= 1100 && refnum < 1200) return "A" + oriRefnum;
|
|
62408
62436
|
else if(refnum >= 1200 && refnum < 1300) return "A'" + oriRefnum;
|
|
62409
|
-
else if(refnum >= 1300 && refnum < 1400) return "A*" + oriRefnum;
|
|
62437
|
+
//else if(refnum >= 1300 && refnum < 1400) return "A*" + oriRefnum;
|
|
62438
|
+
else if(refnum >= 1300 && refnum < 1400) return "A+" + oriRefnum;
|
|
62410
62439
|
else if(refnum >= 1400 && refnum < 2000) {
|
|
62411
62440
|
if(prevStrand && prevStrand.substr(0, 1) == 'A') {
|
|
62412
62441
|
return prevStrand + oriRefnum;
|
|
@@ -62423,7 +62452,8 @@ if(!me.bNode) {
|
|
|
62423
62452
|
else if(refnum >= 7000 && refnum < 8000) return "E" + oriRefnum;
|
|
62424
62453
|
else if(refnum >= 8000 && refnum < 9000) return "F" + oriRefnum;
|
|
62425
62454
|
else if(refnum >= 9000 && refnum < 9400) return "G" + oriRefnum;
|
|
62426
|
-
else if(refnum >= 9400 && refnum < 9500) return "G*" + oriRefnum;
|
|
62455
|
+
//else if(refnum >= 9400 && refnum < 9500) return "G*" + oriRefnum;
|
|
62456
|
+
else if(refnum >= 9400 && refnum < 9500) return "G+" + oriRefnum;
|
|
62427
62457
|
else if(refnum >= 9500) return "G" + oriRefnum;
|
|
62428
62458
|
}
|
|
62429
62459
|
|