icn3d 3.49.5 → 3.50.0
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/css/icn3d.css +7 -1
- package/icn3d.js +788 -139
- package/icn3d.min.js +5 -5
- package/icn3d.module.js +788 -139
- package/package.json +1 -1
package/icn3d.module.js
CHANGED
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@@ -55558,6 +55558,19 @@ class UtilsCls {
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return date.getFullYear().toString() + monthStr + dateStr;
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}
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+
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compMatrix(mat1, mat2, len) { this.icn3dui;
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let eps = 1e-6;
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let bEqual = true;
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for (let i = 0; i < len; i++) {
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if (Math.abs(mat1.elements[i] - mat2.elements[i]) > eps) {
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bEqual = false;
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break;
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}
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}
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return bEqual;
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}
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}
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/**
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@@ -59475,7 +59488,8 @@ class ClickMenu {
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me.myEventCls.onIds("#" + me.pre + "2ddgm_r2dt", "click", function(e) { let ic = me.icn3d; //e.preventDefault();
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thisClass.SetChainsAdvancedMenu();
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-
let
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let bNucleotides = true;
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let definedAtomsHtml = ic.definedSetsCls.setAtomMenu(['protein'], bNucleotides);
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if($("#" + me.pre + "atomsCustomNucleotide").length && definedAtomsHtml) {
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$("#" + me.pre + "atomsCustomNucleotide").html(definedAtomsHtml);
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me.htmlCls.dialogCls.openDlg('dl_2ddgm_r2dt', 'Show R2DT Diagram for Nucleotides');
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@@ -61407,7 +61421,7 @@ class SetMenu {
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html += this.getMenuText('2ddgmwrap', '2D Diagram', undefined, 1, 1);
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html += "<ul>";
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html += this.getLink('2ddgm_r2dt', 'for Nucleotides
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html += this.getLink('2ddgm_r2dt', 'for Nucleotides' + me.htmlCls.wifiStr, 1, 2);
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html += this.getLink('2ddgm_igdgm', 'for Ig Domains' + me.htmlCls.wifiStr, 1, 2);
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if(me.cfg.mmdbid !== undefined || me.cfg.gi !== undefined || me.cfg.blast_rep_id !== undefined || me.cfg.align !== undefined || me.cfg.chainalign !== undefined) {
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html += this.getLink('mn2_2ddgm', 'for Chains ' + me.htmlCls.wifiStr, 1, 2);
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@@ -61860,6 +61874,7 @@ class Dialog {
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let bLigplot = $('#' + me.pre + 'dl_ligplot').hasClass('ui-dialog-content'); // initialized
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let bContactmap = $('#' + me.pre + 'dl_contactmap').hasClass('ui-dialog-content'); // initialized
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let b2ddiagram = $('#' + me.pre + 'dl_2ddiagram').hasClass('ui-dialog-content'); // initialized
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+
let brnacanvas = $('#' + me.pre + 'dl_rnacanvas').hasClass('ui-dialog-content'); // initialized
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let bAlignerrormap = $('#' + me.pre + 'dl_alignerrormap').hasClass('ui-dialog-content'); // initialized
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let bTable = $('#' + me.pre + 'dl_interactionsorted').hasClass('ui-dialog-content'); // initialized
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let bAlignmentInit = $('#' + me.pre + 'dl_alignment').hasClass('ui-dialog-content'); // initialized
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@@ -61880,6 +61895,7 @@ class Dialog {
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id2flag.dl_ligplot = 'bLigplot2';
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id2flag.dl_contactmap = 'bContactmap2';
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id2flag.dl_2ddiagram = 'b2ddiagram2';
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+
id2flag.dl_rnacanvas = 'brnacanvas2';
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id2flag.dl_alignerrormap = 'bAlignerrormap2';
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id2flag.dl_interactionsorted = 'bTable2';
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id2flag.dl_alignment = 'bAlignmentInit2';
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@@ -61896,6 +61912,7 @@ class Dialog {
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if(bLigplot) status.bLigplot2 = $('#' + me.pre + 'dl_ligplot').dialog( 'isOpen' );
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if(bContactmap) status.bContactmap2 = $('#' + me.pre + 'dl_contactmap').dialog( 'isOpen' );
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if(b2ddiagram) status.b2ddiagram2 = $('#' + me.pre + 'dl_2ddiagram').dialog( 'isOpen' );
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if(brnacanvas) status.brnacanvas2 = $('#' + me.pre + 'dl_rnacanvas').dialog( 'isOpen' );
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if(bAlignerrormap) status.bAlignerror2 = $('#' + me.pre + 'dl_alignerrormap').dialog( 'isOpen' );
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if(bTable) status.bTable2 = $('#' + me.pre + 'dl_interactionsorted').dialog( 'isOpen' );
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if(bAlignmentInit) status.bAlignmentInit2 = $('#' + me.pre + 'dl_alignment').dialog( 'isOpen' );
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@@ -61981,7 +61998,7 @@ class Dialog {
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d3.select("#" + me.svgid).attr("width", width).attr("height", height);
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}
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-
else if(id == me.pre + 'dl_linegraph' || id == me.pre + 'dl_scatterplot' || id == me.pre + 'dl_ligplot' || id == me.pre + 'dl_contactmap' || id == me.pre + '
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else if(id == me.pre + 'dl_linegraph' || id == me.pre + 'dl_scatterplot' || id == me.pre + 'dl_ligplot' || id == me.pre + 'dl_contactmap' || id == me.pre + 'dl_alignerrormap') {
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let oriWidth =(status.bTwoddgmInit2 || status.bSetsInit2) ?(me.htmlCls.WIDTH - twoddgmWidth)/2 : me.htmlCls.WIDTH / 2;
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let ratio = $("#" + id).width() / oriWidth;
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@@ -62005,10 +62022,6 @@ class Dialog {
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let width = ic.contactmapWidth * ratio;
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$("#" + me.contactmapid).attr("width", width);
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}
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-
// else if(id == me.pre + 'dl_2ddiagram') {
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-
// let width = ic.twoddiagramWidth * ratio;
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// $("#" + me.twoddiagramid).attr("width", width);
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-
// }
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else if(id == me.pre + 'dl_alignerrormap') {
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let width = ic.alignerrormapWidth * ratio;
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$("#" + me.alignerrormapid).attr("width", width);
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@@ -62087,7 +62100,7 @@ class Dialog {
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let status = this.getDialogStatus().status;
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-
if(id === me.pre + 'dl_selectannotations' || id === me.pre + 'dl_graph' || id === me.pre + 'dl_linegraph' || id === me.pre + 'dl_scatterplot' || id === me.pre + 'dl_rmsdplot' || id === me.pre + 'dl_hbondplot' || id === me.pre + 'dl_ligplot' || id === me.pre + 'dl_contactmap' || id === me.pre + 'dl_2ddiagram'
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+
if(id === me.pre + 'dl_selectannotations' || id === me.pre + 'dl_graph' || id === me.pre + 'dl_linegraph' || id === me.pre + 'dl_scatterplot' || id === me.pre + 'dl_rmsdplot' || id === me.pre + 'dl_hbondplot' || id === me.pre + 'dl_ligplot' || id === me.pre + 'dl_contactmap' || id === me.pre + 'dl_2ddiagram' || id === me.pre + 'dl_rnacanvas' || id === me.pre + 'dl_alignerrormap' || id === me.pre + 'dl_interactionsorted' || id === me.pre + 'dl_alignment') {
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//var dialogWidth = 0.5 *(me.htmlCls.WIDTH - me.htmlCls.LESSWIDTH) - twoddgmWidth * 0.5;
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let dialogWidth = 0.5 *(me.htmlCls.WIDTH) - twoddgmWidth * 0.5;
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@@ -62123,17 +62136,18 @@ class Dialog {
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modal: false,
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position: position,
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close: function(e) {
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-
if((id === me.pre + 'dl_selectannotations' &&(!status.bAlignmentInit2) &&(!status.bGraph2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2))
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-
||(id === me.pre + 'dl_graph' &&(!status.bSelectannotationsInit2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2))
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-
||(id === me.pre + 'dl_alignment' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2))
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-
||(id === me.pre + 'dl_interactionsorted' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2))
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-
||(id === me.pre + 'dl_linegraph' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2))
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-
||(id === me.pre + 'dl_scatterplot' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2))
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||(id === me.pre + 'dl_ligplot' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2))
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||(id === me.pre + 'dl_contactmap' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2))
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||(id === me.pre + 'dl_alignerrormap' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2))
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||(id === me.pre + 'dl_hbondplot' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.b2ddiagram2))
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||(id === me.pre + 'dl_2ddiagram' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2))
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+
if((id === me.pre + 'dl_selectannotations' &&(!status.bAlignmentInit2) &&(!status.bGraph2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_graph' &&(!status.bSelectannotationsInit2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_alignment' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_interactionsorted' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_linegraph' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_scatterplot' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_ligplot' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_contactmap' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_alignerrormap' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_hbondplot' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.b2ddiagram2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_2ddiagram' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.brnacanvas2))
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||(id === me.pre + 'dl_rnacanvas' &&(!status.bSelectannotationsInit2) &&(!status.bGraph2) &&(!status.bAlignmentInit2) &&(!status.bTable2) &&(!status.bLineGraph2) &&(!status.bScatterplot2) &&(!status.bLigplot2) &&(!status.bContactmap2) &&(!status.bAlignerrormap2) &&(!status.bHbondplot2) &&(!status.b2ddiagram2))
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) {
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if(status.bTwoddgmInit2 || status.bTwodctnInit2 || status.bSetsInit2) {
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let canvasWidth = me.utilsCls.isMobile() ? me.htmlCls.WIDTH : me.htmlCls.WIDTH - twoddgmWidth;
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@@ -62159,7 +62173,7 @@ class Dialog {
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d3.select("#" + me.svgid).attr("width", width).attr("height", height);
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}
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-
else if(id == me.pre + 'dl_linegraph' || id == me.pre + 'dl_scatterplot' || id == me.pre + 'dl_ligplot' || id == me.pre + 'dl_contactmap' || id == me.pre + '
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else if(id == me.pre + 'dl_linegraph' || id == me.pre + 'dl_scatterplot' || id == me.pre + 'dl_ligplot' || id == me.pre + 'dl_contactmap' || id == me.pre + 'dl_alignerrormap') {
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let oriWidth =(status.bTwoddgmInit2 || status.bSetsInit2) ?(me.htmlCls.WIDTH - twoddgmWidth)/2 : me.htmlCls.WIDTH / 2;
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let ratio = $("#" + id).width() / oriWidth;
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@@ -62179,10 +62193,6 @@ class Dialog {
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let width = ic.contactmapWidth * ratio;
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$("#" + me.contactmapid).attr("width", width);
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}
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// else if(id == me.pre + 'dl_2ddiagram') {
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// let width = ic.twoddiagramWidth * ratio;
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// $("#" + me.twoddiagramid).attr("width", width);
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// }
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else if(id == me.pre + 'dl_alignerrormap') {
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let width = ic.alignerrormapWidth * ratio;
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$("#" + me.alignerrormapid).attr("width", width);
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@@ -62319,7 +62329,7 @@ class Dialog {
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let width = 400, height = 150;
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let twoddgmWidth = me.htmlCls.width2d + 20;
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-
if(id === me.pre + 'dl_selectannotations' || id === me.pre + 'dl_graph' || id === me.pre + 'dl_linegraph' || id === me.pre + 'dl_scatterplot' || id === me.pre + 'dl_rmsdplot' || id === me.pre + 'dl_hbondplot' || id === me.pre + 'dl_ligplot' || id === me.pre + 'dl_contactmap' || id === me.pre + 'dl_2ddiagram' || id === me.pre + 'dl_alignerrormap' || id === me.pre + 'dl_interactionsorted' || id === me.pre + 'dl_alignment') {
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|
+
if(id === me.pre + 'dl_selectannotations' || id === me.pre + 'dl_graph' || id === me.pre + 'dl_linegraph' || id === me.pre + 'dl_scatterplot' || id === me.pre + 'dl_rmsdplot' || id === me.pre + 'dl_hbondplot' || id === me.pre + 'dl_ligplot' || id === me.pre + 'dl_contactmap' || id === me.pre + 'dl_2ddiagram' || id === me.pre + 'dl_rnacanvas' || id === me.pre + 'dl_alignerrormap' || id === me.pre + 'dl_interactionsorted' || id === me.pre + 'dl_alignment') {
|
|
62323
62333
|
$( "#" + id ).show();
|
|
62324
62334
|
$( "#" + id + "_nb").show();
|
|
62325
62335
|
$( "#" + id + "_title").html(title);
|
|
@@ -62364,11 +62374,6 @@ class Dialog {
|
|
|
62364
62374
|
|
|
62365
62375
|
$("#" + me.contactmapid).attr("width", width);
|
|
62366
62376
|
}
|
|
62367
|
-
// else if(id == me.pre + 'dl_2ddiagram') {
|
|
62368
|
-
// let width = ic.twoddiagramWidth * ratio;
|
|
62369
|
-
|
|
62370
|
-
// $("#" + me.twoddiagramid).attr("width", width);
|
|
62371
|
-
// }
|
|
62372
62377
|
else if(id == me.pre + 'dl_alignerrormap') {
|
|
62373
62378
|
let width = ic.alignerrormapWidth * ratio;
|
|
62374
62379
|
|
|
@@ -62469,7 +62474,7 @@ class SetDialog {
|
|
|
62469
62474
|
|
|
62470
62475
|
me.svgid_ct = me.pre + "icn3d_cartoon";
|
|
62471
62476
|
|
|
62472
|
-
let buttonStrTmp = '<button class="icn3d-commandTitle" style="-webkit-appearance:button; height:24px;background-color:#DDD;" id="';
|
|
62477
|
+
let buttonStrTmp = '<button class="icn3d-commandTitle" style="-webkit-appearance:button; height:24px;background-color:#DDD; margin:1px;" id="';
|
|
62473
62478
|
let tmpStr = 'icn3d-node-text';
|
|
62474
62479
|
html += me.htmlCls.divNowrapStr + "Dynamically generated for selected residues. <br>Nodes can be dragged or clicked.</div>";
|
|
62475
62480
|
html += me.htmlCls.divNowrapStr + buttonStrTmp + me.svgid_ct + '_svg">SVG</button>' + me.htmlCls.space2;
|
|
@@ -63062,10 +63067,10 @@ class SetDialog {
|
|
|
63062
63067
|
|
|
63063
63068
|
html += me.htmlCls.divStr + "dl_2ddgm_r2dt' class='" + dialogClass + "'>";
|
|
63064
63069
|
html += this.addNotebookTitle('dl_2ddgm_r2dt', '2D Diagram for Nucleotides (R2DT)');
|
|
63065
|
-
html += "1. Select a nucleotide chain to show
|
|
63070
|
+
html += "1. Select a nucleotide chain to show 2D diagram:<br>";
|
|
63066
63071
|
html += "<select style='max-width:200px' id='" + me.pre + "atomsCustomNucleotide' size='5' style='min-width:130px;'>";
|
|
63067
63072
|
html += "</select><br>";
|
|
63068
|
-
html += me.htmlCls.buttonStr + "applyr2dt'>
|
|
63073
|
+
html += "2. " + me.htmlCls.buttonStr + "applyr2dt'>R2DT Diagram</button>" + me.htmlCls.buttonStr + "applyfr3d' style='margin-left:12px'>2D Diagram with RNAcanvas</button><br><br>(Hints: Click on Residues in 2D to highlight in 3D. <br>Ctrl + click to select multiple residues.)<br>";
|
|
63069
63074
|
html += "</div>";
|
|
63070
63075
|
|
|
63071
63076
|
html += me.htmlCls.divStr + "dl_2ddgm_igdgm' class='" + dialogClass + "'>";
|
|
@@ -63404,8 +63409,31 @@ class SetDialog {
|
|
|
63404
63409
|
html += "</div>";
|
|
63405
63410
|
|
|
63406
63411
|
html += me.htmlCls.divStr + "dl_2ddiagram' style='background-color:white' class='" + dialogClass + "'>";
|
|
63407
|
-
html += this.addNotebookTitle('dl_2ddiagram', '
|
|
63408
|
-
html += '<div id="' + me.pre + '2ddiagramDiv"></div>';
|
|
63412
|
+
html += this.addNotebookTitle('dl_2ddiagram', 'R2DT Diagram');
|
|
63413
|
+
html += '<div id="' + me.pre + '2ddiagramDiv"></div><br>';
|
|
63414
|
+
html += "<b>Download</b>: " + me.htmlCls.buttonStr + "r2dt_svg'>SVG</button>" + me.htmlCls.buttonStr + "r2dt_dotb' style='margin-left:12px'>Dot-Bracket</button>" + me.htmlCls.buttonStr + "r2dt_seq' style='margin-left:12px'>Sequence</button><br>";
|
|
63415
|
+
html += "</div>";
|
|
63416
|
+
|
|
63417
|
+
me.rnacanvasid = me.pre + 'rancanvas';
|
|
63418
|
+
html += me.htmlCls.divStr + "dl_rnacanvas' style='background-color:white' class='" + dialogClass + "'>";
|
|
63419
|
+
html += this.addNotebookTitle('dl_rnacanvas', '2D Diagram with RNAcanvas');
|
|
63420
|
+
|
|
63421
|
+
me.lwTypes = ['cWW', 'tWW', 'cWH', 'tWH', 'cWS', 'tWS', 'cHH', 'tHH', 'cHS', 'tHS', 'cSS', 'tSS']; // exclude 'cWW'
|
|
63422
|
+
html += "<table><tr><td>Show non-nested BPs:<br>";
|
|
63423
|
+
html += me.htmlCls.divNowrapStr + "<select id='" + me.pre + "basepairType' multiple size='2' style='min-width:130px;'>";
|
|
63424
|
+
html += "<option value='' selected>None</option>";
|
|
63425
|
+
html += "<option value='" + me.lwTypes.join(',') + "'>All</option>";
|
|
63426
|
+
for(let i = 0, il = me.lwTypes.length; i < il; i++) {
|
|
63427
|
+
let name = me.lwTypes[i];
|
|
63428
|
+
html += "<option value='" + name + "'>" + name + "</option>";
|
|
63429
|
+
}
|
|
63430
|
+
html += "</select></td><td valign='top'>";
|
|
63431
|
+
|
|
63432
|
+
html += me.htmlCls.space2 + buttonStrTmp + me.rnacanvasid + '_wconly">Show Only Nested BPs</button><br>';
|
|
63433
|
+
html += me.htmlCls.space2 + buttonStrTmp + me.rnacanvasid + '_dotb">Download Dot-Bracket</button><br>';
|
|
63434
|
+
html += me.htmlCls.space2 + buttonStrTmp + me.rnacanvasid + '_fr3d">FR3D Basepairs</button></td></tr></table><br>';
|
|
63435
|
+
|
|
63436
|
+
html += '<div id="' + me.pre + 'rnacanvasDiv"></div>';
|
|
63409
63437
|
html += "</div>";
|
|
63410
63438
|
|
|
63411
63439
|
html += me.htmlCls.divStr + "dl_alignerrormap' style='background-color:white' class='" + dialogClass + "'>";
|
|
@@ -66664,10 +66692,22 @@ class Events {
|
|
|
66664
66692
|
//if(!me.cfg.notebook) dialog.dialog( "close" );
|
|
66665
66693
|
|
|
66666
66694
|
let chainid = $("#" + ic.pre + "atomsCustomNucleotide").val();
|
|
66695
|
+
ic.r2dt_chainid = chainid;
|
|
66667
66696
|
|
|
66668
66697
|
await ic.diagram2dCls.drawR2dt(chainid);
|
|
66669
66698
|
thisClass.setLogCmd('diagram 2d nucleotide | ' + chainid, true);
|
|
66670
66699
|
});
|
|
66700
|
+
|
|
66701
|
+
me.myEventCls.onIds("#" + me.pre + "applyfr3d", "click", async function(e) { let ic = me.icn3d;
|
|
66702
|
+
e.preventDefault();
|
|
66703
|
+
//if(!me.cfg.notebook) dialog.dialog( "close" );
|
|
66704
|
+
|
|
66705
|
+
let chainid = $("#" + ic.pre + "atomsCustomNucleotide").val();
|
|
66706
|
+
|
|
66707
|
+
await ic.diagram2dCls.drawRnacanvas(chainid);
|
|
66708
|
+
thisClass.setLogCmd('diagram 2d fr3d | ' + chainid, true);
|
|
66709
|
+
});
|
|
66710
|
+
|
|
66671
66711
|
me.myEventCls.onIds("#" + me.pre + "applyigdgm", "click", async function(e) { let ic = me.icn3d;
|
|
66672
66712
|
e.preventDefault();
|
|
66673
66713
|
//if(!me.cfg.notebook) dialog.dialog( "close" );
|
|
@@ -66818,6 +66858,57 @@ class Events {
|
|
|
66818
66858
|
thisClass.setLogCmd("cartoon label " + className, true);
|
|
66819
66859
|
});
|
|
66820
66860
|
|
|
66861
|
+
me.myEventCls.onIds("#" + me.rnacanvasid + "_wconly", "click", function(e) { me.icn3d;
|
|
66862
|
+
e.preventDefault();
|
|
66863
|
+
|
|
66864
|
+
$('#' + me.pre + 'basepairType').val($('#' + me.pre + 'basepairType option:first').val()).trigger('change');
|
|
66865
|
+
});
|
|
66866
|
+
me.myEventCls.onIds("#" + me.rnacanvasid + "_svg", "click", function(e) { let ic = me.icn3d;
|
|
66867
|
+
e.preventDefault();
|
|
66868
|
+
|
|
66869
|
+
ic.saveFileCls.saveSvg("rnacanvasSvg", ic.inputid + "_rnacanvas.svg");
|
|
66870
|
+
});
|
|
66871
|
+
me.myEventCls.onIds("#" + me.rnacanvasid + "_dotb", "click", function(e) { let ic = me.icn3d;
|
|
66872
|
+
e.preventDefault();
|
|
66873
|
+
|
|
66874
|
+
ic.saveFileCls.saveFile(ic.inputid + "_dot_bracket.txt", "text", [ic.dot_bracket]);
|
|
66875
|
+
});
|
|
66876
|
+
|
|
66877
|
+
me.myEventCls.onIds("#" + me.rnacanvasid + "_fr3d", "click", function(e) { let ic = me.icn3d;
|
|
66878
|
+
e.preventDefault();
|
|
66879
|
+
|
|
66880
|
+
let url = 'https://rna.bgsu.edu/rna3dhub/pdb/' + Object.keys(ic.structures)[0] + '/interactions/fr3d/basepairs/';
|
|
66881
|
+
|
|
66882
|
+
window.open(url, '_blank');
|
|
66883
|
+
});
|
|
66884
|
+
|
|
66885
|
+
me.myEventCls.onIds("#" + me.pre + "r2dt_svg", "click", function(e) { let ic = me.icn3d;
|
|
66886
|
+
e.preventDefault();
|
|
66887
|
+
|
|
66888
|
+
let bClassName = true;
|
|
66889
|
+
ic.saveFileCls.saveSvg("rnaTopoSvg", ic.r2dt_chainid + "_r2dt.svg", undefined, undefined, bClassName);
|
|
66890
|
+
});
|
|
66891
|
+
me.myEventCls.onIds("#" + me.pre + "r2dt_dotb", "click", async function(e) { let ic = me.icn3d;
|
|
66892
|
+
e.preventDefault();
|
|
66893
|
+
|
|
66894
|
+
let chainid = $("#" + ic.pre + "atomsCustomNucleotide").val();
|
|
66895
|
+
let result = await ic.diagram2dCls.getDotbracket(chainid);
|
|
66896
|
+
ic.saveFileCls.saveFile(chainid + "_dot_bracket.txt", "text", [result.dotb]);
|
|
66897
|
+
});
|
|
66898
|
+
|
|
66899
|
+
me.myEventCls.onIds("#" + me.pre + "r2dt_seq", "click", function(e) { let ic = me.icn3d;
|
|
66900
|
+
e.preventDefault();
|
|
66901
|
+
|
|
66902
|
+
let chainid = $("#" + ic.pre + "atomsCustomNucleotide").val();
|
|
66903
|
+
let seq = '';
|
|
66904
|
+
for(let i = 0; i < ic.chainsSeq[chainid].length; ++i) {
|
|
66905
|
+
seq += ic.chainsSeq[chainid][i].name;
|
|
66906
|
+
}
|
|
66907
|
+
|
|
66908
|
+
ic.saveFileCls.saveFile(chainid + "_seq.txt", "text", [seq]);
|
|
66909
|
+
});
|
|
66910
|
+
|
|
66911
|
+
|
|
66821
66912
|
me.myEventCls.onIds("#" + me.linegraphid + "_svg", "click", function(e) { let ic = me.icn3d;
|
|
66822
66913
|
e.preventDefault();
|
|
66823
66914
|
|
|
@@ -78985,7 +79076,7 @@ class Line$1 {
|
|
|
78985
79076
|
let radius = (line.radius) ? line.radius : ic.lineRadius;
|
|
78986
79077
|
let opacity = (line.opacity) ? line.opacity : 1.0;
|
|
78987
79078
|
|
|
78988
|
-
let colorStr = '#' + line.color.replace(/\#/g, '');
|
|
79079
|
+
let colorStr = (line.color) ? '#' + line.color.replace(/\#/g, '') : '#000';
|
|
78989
79080
|
|
|
78990
79081
|
let color = me.parasCls.thr(colorStr);
|
|
78991
79082
|
|
|
@@ -81021,6 +81112,24 @@ class CartoonNucl {
|
|
|
81021
81112
|
let currentChain, currentResi, currentO3;
|
|
81022
81113
|
let prevOO = null;
|
|
81023
81114
|
|
|
81115
|
+
// add one extra residue for highlighting one residue
|
|
81116
|
+
if(bHighlight === 1) {
|
|
81117
|
+
let residueArray= ic.resid2specCls.atoms2residues(Object.keys(atomlist));
|
|
81118
|
+
|
|
81119
|
+
if(residueArray.length == 1) {
|
|
81120
|
+
let ncbiresid = ic.resid2ncbi[residueArray[0]];
|
|
81121
|
+
ic.firstAtomObjCls.getFirstAtomObj(atomlist);
|
|
81122
|
+
let ncbiresi = ncbiresid.substr(ncbiresid.lastIndexOf('_') + 1);
|
|
81123
|
+
let ncbiresid2 = ncbiresid.substr(0, ncbiresid.lastIndexOf('_')) + '_' + (parseInt(ncbiresi) + 1).toString();
|
|
81124
|
+
let residueid2 = ic.ncbi2resid[ncbiresid2];
|
|
81125
|
+
|
|
81126
|
+
if(ic.residues.hasOwnProperty(residueid2)) {
|
|
81127
|
+
let atomsAdjust = me.hashUtilsCls.hash2Atoms(ic.residues[residueid2], ic.atoms);
|
|
81128
|
+
atomlist = me.hashUtilsCls.unionHash(atomlist, atomsAdjust);
|
|
81129
|
+
}
|
|
81130
|
+
}
|
|
81131
|
+
}
|
|
81132
|
+
|
|
81024
81133
|
for (i in atomlist) {
|
|
81025
81134
|
let atom = atomlist[i];
|
|
81026
81135
|
if (atom === undefined) continue;
|
|
@@ -84965,7 +85074,7 @@ class ApplyMissingRes {
|
|
|
84965
85074
|
line.serial1 = ic.missingResResid2serial[resid0 + ',' + resid1];
|
|
84966
85075
|
line.serial2 = ic.missingResResid2serial[resid1 + ',' + resid0];
|
|
84967
85076
|
|
|
84968
|
-
line.color = (ic.atoms[line.serial1]) ? "#" + ic.atoms[line.serial1].color.getHexString() : undefined;
|
|
85077
|
+
line.color = (ic.atoms[line.serial1] && ic.atoms[line.serial1].color) ? "#" + ic.atoms[line.serial1].color.getHexString() : undefined;
|
|
84969
85078
|
|
|
84970
85079
|
line.radius = ic.coilWidth;
|
|
84971
85080
|
|
|
@@ -87292,7 +87401,7 @@ class Instancing {
|
|
|
87292
87401
|
}
|
|
87293
87402
|
}
|
|
87294
87403
|
|
|
87295
|
-
drawSymmetryMatesNoInstancing() { let ic = this.icn3d
|
|
87404
|
+
drawSymmetryMatesNoInstancing() { let ic = this.icn3d, me = ic.icn3dui;
|
|
87296
87405
|
if (ic.biomtMatrices === undefined || ic.biomtMatrices.length == 0) return;
|
|
87297
87406
|
let cnt = 1; // itself
|
|
87298
87407
|
let centerSum = ic.center.clone();
|
|
@@ -87310,7 +87419,7 @@ class Instancing {
|
|
|
87310
87419
|
if (mat === undefined) continue;
|
|
87311
87420
|
|
|
87312
87421
|
// skip itself
|
|
87313
|
-
if(
|
|
87422
|
+
if(me.utilsCls.compMatrix(mat, identity, 16)) continue;
|
|
87314
87423
|
|
|
87315
87424
|
let symmetryMate;
|
|
87316
87425
|
|
|
@@ -87586,7 +87695,7 @@ class Instancing {
|
|
|
87586
87695
|
}
|
|
87587
87696
|
}
|
|
87588
87697
|
|
|
87589
|
-
drawSymmetryMatesInstancing() { let ic = this.icn3d
|
|
87698
|
+
drawSymmetryMatesInstancing() { let ic = this.icn3d, me = ic.icn3dui;
|
|
87590
87699
|
if (ic.biomtMatrices === undefined || ic.biomtMatrices.length == 0) return;
|
|
87591
87700
|
let cnt = 1; // itself
|
|
87592
87701
|
let centerSum = ic.center.clone();
|
|
@@ -87608,10 +87717,13 @@ class Instancing {
|
|
|
87608
87717
|
let mat = ic.biomtMatrices[i];
|
|
87609
87718
|
if (mat === undefined) continue;
|
|
87610
87719
|
|
|
87611
|
-
let matArray = mat.toArray();
|
|
87720
|
+
let matArray = mat.toArray().map(x => parseFloat(x)); // some values are string and others are number
|
|
87721
|
+
mat.fromArray(matArray);
|
|
87612
87722
|
|
|
87613
87723
|
// skip itself
|
|
87614
|
-
if(mat.equals(identity)) continue;
|
|
87724
|
+
//if(mat.equals(identity)) continue; // equals seemed to have some problem in comparing two matrices
|
|
87725
|
+
let bEqual = me.utilsCls.compMatrix(mat, identity, 16);
|
|
87726
|
+
if(bEqual) continue;
|
|
87615
87727
|
|
|
87616
87728
|
ic.matricesElements1.push(matArray[0], matArray[1], matArray[2], matArray[3]);
|
|
87617
87729
|
ic.matricesElements2.push(matArray[4], matArray[5], matArray[6], matArray[7]);
|
|
@@ -87619,7 +87731,7 @@ class Instancing {
|
|
|
87619
87731
|
ic.matricesElements4.push(matArray[12], matArray[13], matArray[14], matArray[15]);
|
|
87620
87732
|
|
|
87621
87733
|
let center = ic.center.clone();
|
|
87622
|
-
center.applyMatrix4(mat);
|
|
87734
|
+
center.applyMatrix4(mat);
|
|
87623
87735
|
centerSum.add(center);
|
|
87624
87736
|
|
|
87625
87737
|
++cnt;
|
|
@@ -87845,7 +87957,7 @@ class Alternate {
|
|
|
87845
87957
|
}
|
|
87846
87958
|
|
|
87847
87959
|
ic.setColorCls.applyPrevColor();
|
|
87848
|
-
|
|
87960
|
+
|
|
87849
87961
|
if(ic.biomtMatrices !== undefined && ic.biomtMatrices.length > 1) {
|
|
87850
87962
|
if(ic.bAssembly && Object.keys(ic.structures).length == 1 && ((me.cfg.mmdbid === undefined && me.cfg.bu == 1)
|
|
87851
87963
|
|| (me.cfg.mmdbid !== undefined && me.cfg.bu == 1 && Object.keys(ic.atoms).length * ic.biomtMatrices.length > ic.maxatomcnt)) ) {
|
|
@@ -87873,6 +87985,7 @@ class Alternate {
|
|
|
87873
87985
|
}
|
|
87874
87986
|
|
|
87875
87987
|
this.applyTransformation(ic._zoomFactor, ic.mouseChange, ic.quaternion);
|
|
87988
|
+
|
|
87876
87989
|
this.render(bVrAr);
|
|
87877
87990
|
}
|
|
87878
87991
|
//ic.impostorCls.clearImpostors();
|
|
@@ -98607,6 +98720,8 @@ class ShowAnno {
|
|
|
98607
98720
|
ic.maxAnnoLength = ic.maxAnnoLengthOri;
|
|
98608
98721
|
}
|
|
98609
98722
|
|
|
98723
|
+
ic.nucleotide_chainid = nucleotide_chainid;
|
|
98724
|
+
|
|
98610
98725
|
return {'nucleotide_chainid': nucleotide_chainid, 'chemical_chainid': chemical_chainid, 'chemical_set': chemical_set};
|
|
98611
98726
|
}
|
|
98612
98727
|
|
|
@@ -103816,14 +103931,23 @@ class DrawGraph {
|
|
|
103816
103931
|
}).strength(function(d) { return 0.4; }))
|
|
103817
103932
|
.force("x", d3v4.forceX(parentWidth / 2).strength(function(d) { return 0.02; }));
|
|
103818
103933
|
} else if (me.htmlCls.force == 3) { // circle
|
|
103934
|
+
// me.htmlCls.simulation.force("r", d3v4.forceRadial(function(d) {
|
|
103935
|
+
// if (d.s == 'a') {
|
|
103936
|
+
// return 200;
|
|
103937
|
+
// } else {
|
|
103938
|
+
// return 100;
|
|
103939
|
+
// }
|
|
103940
|
+
|
|
103941
|
+
// }, parentWidth / 2, parentHeight / 2).strength(function(d) { return 0.8; }));
|
|
103942
|
+
|
|
103819
103943
|
me.htmlCls.simulation.force("r", d3v4.forceRadial(function(d) {
|
|
103820
103944
|
if (d.s == 'a') {
|
|
103821
|
-
return 200;
|
|
103945
|
+
return 60; //200;
|
|
103822
103946
|
} else {
|
|
103823
|
-
return 100;
|
|
103947
|
+
return 30; //100;
|
|
103824
103948
|
}
|
|
103825
103949
|
|
|
103826
|
-
}, parentWidth / 2, parentHeight / 2).strength(function(d) { return 0.
|
|
103950
|
+
}, parentWidth / 2, parentHeight / 2).strength(function(d) { return 0.1; }));
|
|
103827
103951
|
} else if (me.htmlCls.force == 4) ;
|
|
103828
103952
|
|
|
103829
103953
|
me.htmlCls.simulation
|
|
@@ -107109,7 +107233,8 @@ class MmcifParser {
|
|
|
107109
107233
|
if(ic.bAssemblyUseAsu) {
|
|
107110
107234
|
for(let i = 0, il = data.assembly.length; i < il; ++i) {
|
|
107111
107235
|
let mat4 = new Matrix4$1();
|
|
107112
|
-
|
|
107236
|
+
let tmpArray = data.assembly[i].map(x => parseFloat(x)); // some values are string and others are number
|
|
107237
|
+
mat4.fromArray(tmpArray);
|
|
107113
107238
|
|
|
107114
107239
|
// sometimes an extra matrix as included, e.g., PDb ID 2GTL
|
|
107115
107240
|
if(i == 0 && data.assembly[i][0] != 1) continue;
|
|
@@ -107189,14 +107314,14 @@ class MmcifParser {
|
|
|
107189
107314
|
async loadMultipleMmcifData(data, mmcifid, bAppend) { let ic = this.icn3d; ic.icn3dui;
|
|
107190
107315
|
let bText = true;
|
|
107191
107316
|
ic.loadCIFCls.loadCIF(data, mmcifid, bText, bAppend);
|
|
107192
|
-
|
|
107317
|
+
|
|
107193
107318
|
if(Object.keys(ic.structures).length > 1) {
|
|
107194
107319
|
ic.opts['color'] = 'structure';
|
|
107195
107320
|
}
|
|
107196
107321
|
|
|
107197
107322
|
ic.opmParserCls.modifyUIMapAssembly();
|
|
107198
107323
|
|
|
107199
|
-
ic.pdbParserCls.addSecondary(bAppend);
|
|
107324
|
+
await ic.pdbParserCls.addSecondary(bAppend);
|
|
107200
107325
|
|
|
107201
107326
|
// ic.setStyleCls.setAtomStyleByOptions(ic.opts);
|
|
107202
107327
|
// ic.setColorCls.setColorByOptions(ic.opts, ic.atoms);
|
|
@@ -109078,7 +109203,8 @@ class PdbParser {
|
|
|
109078
109203
|
// DSSP only works for structures with all atoms. The Calpha only structures didn't work
|
|
109079
109204
|
//if(!ic.bSecondaryStructure && !bCalphaOnly) {
|
|
109080
109205
|
let bCalcSecondary = false;
|
|
109081
|
-
if(ic.bSecondaryStructure && Object.keys(ic.structures).length == 1) {
|
|
109206
|
+
// if(ic.bSecondaryStructure && Object.keys(ic.structures).length == 1) {
|
|
109207
|
+
if(ic.bSecondaryStructure) {
|
|
109082
109208
|
bCalcSecondary = false;
|
|
109083
109209
|
}
|
|
109084
109210
|
else if(!me.cfg.mmtfid && !me.cfg.pdbid && !me.cfg.opmid && !me.cfg.mmdbid && !me.cfg.gi && !me.cfg.uniprotid && !me.cfg.blast_rep_id && !me.cfg.cid && !me.cfg.mmcifid && !me.cfg.align && !me.cfg.chainalign) {
|
|
@@ -109086,7 +109212,7 @@ class PdbParser {
|
|
|
109086
109212
|
}
|
|
109087
109213
|
|
|
109088
109214
|
// if(!ic.bSecondaryStructure && Object.keys(ic.proteins).length > 0) {
|
|
109089
|
-
if((!ic.bSecondaryStructure || bCalcSecondary) && Object.keys(ic.proteins).length > 0 && !bNoDssp) {
|
|
109215
|
+
if((!ic.bSecondaryStructure || bCalcSecondary) && Object.keys(ic.proteins).length > 0 && !bNoDssp) {
|
|
109090
109216
|
await this.applyCommandDssp(bAppend);
|
|
109091
109217
|
}
|
|
109092
109218
|
else {
|
|
@@ -109131,7 +109257,7 @@ class PdbParser {
|
|
|
109131
109257
|
|
|
109132
109258
|
if(me.cfg.rotate !== undefined) ic.resizeCanvasCls.rotStruc(me.cfg.rotate, true);
|
|
109133
109259
|
|
|
109134
|
-
if(bAppend && !me.bNode) {
|
|
109260
|
+
if(bAppend && Object.keys(ic.structures).length == 1 && !me.bNode) {
|
|
109135
109261
|
// show all
|
|
109136
109262
|
ic.definedSetsCls.setModeAndDisplay('all');
|
|
109137
109263
|
}
|
|
@@ -117208,9 +117334,9 @@ class LoadCIF {
|
|
|
117208
117334
|
if(struct_oper_id == "X0") continue;
|
|
117209
117335
|
|
|
117210
117336
|
if (ic.biomtMatrices[i] == undefined) ic.biomtMatrices[i] = new Matrix4$1().identity();
|
|
117211
|
-
ic.biomtMatrices[i].set(m11Array.getString(i), m12Array.getString(i), m13Array.getString(i), m14Array.getString(i),
|
|
117212
|
-
m21Array.getString(i), m22Array.getString(i), m23Array.getString(i), m24Array.getString(i),
|
|
117213
|
-
m31Array.getString(i), m32Array.getString(i), m33Array.getString(i), m34Array.getString(i),
|
|
117337
|
+
ic.biomtMatrices[i].set(parseFloat(m11Array.getString(i)), parseFloat(m12Array.getString(i)), parseFloat(m13Array.getString(i)), parseFloat(m14Array.getString(i)),
|
|
117338
|
+
parseFloat(m21Array.getString(i)), parseFloat(m22Array.getString(i)), parseFloat(m23Array.getString(i)), parseFloat(m24Array.getString(i)),
|
|
117339
|
+
parseFloat(m31Array.getString(i)), parseFloat(m32Array.getString(i)), parseFloat(m33Array.getString(i)), parseFloat(m34Array.getString(i)),
|
|
117214
117340
|
0, 0, 0, 1);
|
|
117215
117341
|
}
|
|
117216
117342
|
|
|
@@ -117242,6 +117368,44 @@ class LoadCIF {
|
|
|
117242
117368
|
ic.pmid = block.getCategory("_citation").getColumn("pdbx_database_id_PubMed").getString(0);
|
|
117243
117369
|
}
|
|
117244
117370
|
|
|
117371
|
+
// retrieve RNA pair info
|
|
117372
|
+
let pairInfo = block.getCategory("_ndb_base_pair_list");
|
|
117373
|
+
|
|
117374
|
+
if(pairInfo) {
|
|
117375
|
+
let chainArray2, pairidArray, pos1Array, pos2Array, resn1Array, resn2Array;
|
|
117376
|
+
chainArray2 = pairInfo.getColumn("asym_id_1");
|
|
117377
|
+
pairidArray = pairInfo.getColumn("base_pair_id");
|
|
117378
|
+
pos1Array = pairInfo.getColumn("seq_id_1");
|
|
117379
|
+
pos2Array = pairInfo.getColumn("seq_id_2");
|
|
117380
|
+
resn1Array = pairInfo.getColumn("comp_id_1");
|
|
117381
|
+
resn2Array = pairInfo.getColumn("comp_id_2");
|
|
117382
|
+
let pairSize = pairInfo.rowCount;
|
|
117383
|
+
|
|
117384
|
+
let annoInfo = block.getCategory("_ndb_base_pair_annotation");
|
|
117385
|
+
|
|
117386
|
+
let pairidArray2, typeArray;
|
|
117387
|
+
pairidArray2 = annoInfo.getColumn("base_pair_id");
|
|
117388
|
+
typeArray = annoInfo.getColumn("l-w_family");
|
|
117389
|
+
|
|
117390
|
+
ic.chain2pairs_resns_lw = {};
|
|
117391
|
+
for(let i = 0; i < pairSize; ++i) {
|
|
117392
|
+
if(pairidArray.getString(i) == pairidArray2.getString(i)) {
|
|
117393
|
+
let chain = chainArray2.getString(i);
|
|
117394
|
+
let pos1 = pos1Array.getString(i);
|
|
117395
|
+
let pos2 = pos2Array.getString(i);
|
|
117396
|
+
let resn1 = resn1Array.getString(i);
|
|
117397
|
+
let resn2 = resn2Array.getString(i);
|
|
117398
|
+
let lwtype = typeArray.getString(i);
|
|
117399
|
+
if(!ic.chain2pairs_resns_lw[chain]) ic.chain2pairs_resns_lw[chain] = [];
|
|
117400
|
+
ic.chain2pairs_resns_lw[chain].push(pos1);
|
|
117401
|
+
ic.chain2pairs_resns_lw[chain].push(pos2);
|
|
117402
|
+
ic.chain2pairs_resns_lw[chain].push(resn1);
|
|
117403
|
+
ic.chain2pairs_resns_lw[chain].push(resn2);
|
|
117404
|
+
ic.chain2pairs_resns_lw[chain].push(lwtype);
|
|
117405
|
+
}
|
|
117406
|
+
}
|
|
117407
|
+
}
|
|
117408
|
+
|
|
117245
117409
|
// Retrieve the table corresponding to the atom_site category, which delineates atomic constituents
|
|
117246
117410
|
let atom_site = block.getCategory("_atom_site");
|
|
117247
117411
|
let atomSize = atom_site.rowCount;
|
|
@@ -120564,6 +120728,7 @@ class DefinedSets {
|
|
|
120564
120728
|
});
|
|
120565
120729
|
|
|
120566
120730
|
let bFoundNucleotide = false, bFoundProtein = false;
|
|
120731
|
+
let cnt = 0;
|
|
120567
120732
|
for(let i = 0, il = nameArray.length; i < il; ++i) {
|
|
120568
120733
|
let name = nameArray[i];
|
|
120569
120734
|
|
|
@@ -120588,16 +120753,22 @@ class DefinedSets {
|
|
|
120588
120753
|
|
|
120589
120754
|
if(bNucleotide && atom) {
|
|
120590
120755
|
// Handle nucleotide-specific logic
|
|
120591
|
-
if(ic.nucleotides.hasOwnProperty(atom.serial) && name
|
|
120592
|
-
|
|
120756
|
+
if(ic.nucleotides.hasOwnProperty(atom.serial) && name.split('_').length == 2 && !ic.structures.hasOwnProperty(name)) {
|
|
120757
|
+
let selectStr = (cnt == 0) ? "selected" : "";
|
|
120758
|
+
|
|
120759
|
+
html += "<option value='" + name + "' style='color:#" + color + "' " + selectStr + ">" + name + "</option>";
|
|
120593
120760
|
bFoundNucleotide = true;
|
|
120761
|
+
++cnt;
|
|
120594
120762
|
}
|
|
120595
120763
|
}
|
|
120596
120764
|
else if(bProtein && atom) {
|
|
120597
120765
|
// Handle protein-specific logic
|
|
120598
|
-
if(ic.proteins.hasOwnProperty(atom.serial) && name
|
|
120599
|
-
|
|
120766
|
+
if(ic.proteins.hasOwnProperty(atom.serial) && name.split('_').length == 2 && !ic.structures.hasOwnProperty(name)) {
|
|
120767
|
+
let selectStr = (cnt == 0) ? "selected" : "";
|
|
120768
|
+
|
|
120769
|
+
html += "<option value='" + name + "' style='color:#" + color + "' " + selectStr + ">" + name + "</option>";
|
|
120600
120770
|
bFoundProtein = true;
|
|
120771
|
+
++cnt;
|
|
120601
120772
|
}
|
|
120602
120773
|
}
|
|
120603
120774
|
else {
|
|
@@ -120607,6 +120778,7 @@ class DefinedSets {
|
|
|
120607
120778
|
else {
|
|
120608
120779
|
html += "<option value='" + name + "' style='color:#" + color + "'>" + name + "</option>";
|
|
120609
120780
|
}
|
|
120781
|
+
++cnt;
|
|
120610
120782
|
}
|
|
120611
120783
|
}
|
|
120612
120784
|
|
|
@@ -121752,15 +121924,31 @@ class LoadScript {
|
|
|
121752
121924
|
}
|
|
121753
121925
|
else if(command.indexOf('diagram 2d nucleotide') == 0) {
|
|
121754
121926
|
let paraArray = command.split(' | ');
|
|
121755
|
-
let
|
|
121927
|
+
let pos = command.lastIndexOf(' ');
|
|
121928
|
+
let chainid = (paraArray.length == 2) ? paraArray[1] : command.substr(pos + 1);
|
|
121756
121929
|
|
|
121757
121930
|
ic.bRender = true;
|
|
121758
121931
|
await ic.diagram2dCls.drawR2dt(chainid);
|
|
121759
121932
|
ic.bRender = false;
|
|
121760
121933
|
}
|
|
121934
|
+
else if(command.indexOf('diagram 2d fr3d') == 0) {
|
|
121935
|
+
let paraArray = command.split(' | ');
|
|
121936
|
+
let pos = command.lastIndexOf(' ');
|
|
121937
|
+
let chainid = (paraArray.length == 2) ? paraArray[1] : command.substr(pos + 1);
|
|
121938
|
+
|
|
121939
|
+
ic.bRender = true;
|
|
121940
|
+
await ic.diagram2dCls.drawRnacanvas(chainid);
|
|
121941
|
+
ic.bRender = false;
|
|
121942
|
+
}
|
|
121943
|
+
else if(command.indexOf('update rnacanvas') == 0) {
|
|
121944
|
+
let paraArray = command.split(' ');
|
|
121945
|
+
let nonWC = (paraArray.length == 3) ? paraArray[2] : '';
|
|
121946
|
+
ic.diagram2dCls.updateRnacanvas(nonWC);
|
|
121947
|
+
}
|
|
121761
121948
|
else if(command.indexOf('diagram 2d ig') == 0) {
|
|
121762
121949
|
let paraArray = command.split(' | ');
|
|
121763
|
-
let
|
|
121950
|
+
let pos = command.lastIndexOf(' ');
|
|
121951
|
+
let chainid = (paraArray.length == 2) ? paraArray[1] : command.substr(pos + 1);
|
|
121764
121952
|
|
|
121765
121953
|
ic.bRender = true;
|
|
121766
121954
|
await ic.diagram2dCls.drawIgdgm(chainid);
|
|
@@ -122880,7 +123068,7 @@ class SelectByCommand {
|
|
|
122880
123068
|
residueAtomArray = Object.keys(atomHash);
|
|
122881
123069
|
}
|
|
122882
123070
|
|
|
122883
|
-
if(commandname
|
|
123071
|
+
if(!commandname) {
|
|
122884
123072
|
ic.selectionCls.addCustomSelection(residueAtomArray, commandname, commanddesc, select, bSelectResidues);
|
|
122885
123073
|
|
|
122886
123074
|
let nameArray = [commandname];
|
|
@@ -129076,55 +129264,42 @@ class Diagram2d {
|
|
|
129076
129264
|
thisClass.clickNode(this);
|
|
129077
129265
|
});
|
|
129078
129266
|
|
|
129079
|
-
|
|
129080
|
-
|
|
129081
|
-
$(document).on("click", "r2dt-web", function(e) { let ic = thisClass.icn3d;
|
|
129082
|
-
// The 2nd element in the path is the actual clicked g element
|
|
129083
|
-
const path = e.originalEvent.composedPath();
|
|
129084
|
-
const clickedElement = path[1];
|
|
129085
|
-
let titleElem = clickedElement.querySelector('title');
|
|
129267
|
+
$(document).on("change", "#" + me.pre + "basepairType", function(e) { thisClass.icn3d;
|
|
129268
|
+
let nonWC = $("#" + me.pre + "basepairType").val().join(',');
|
|
129086
129269
|
|
|
129087
|
-
|
|
129088
|
-
|
|
129089
|
-
|
|
129090
|
-
let textArray = title.split(' ');
|
|
129091
|
-
let position_resn = textArray[textArray.length - 1].split('.');
|
|
129092
|
-
let pos = position_resn[0];
|
|
129093
|
-
let resn = position_resn[1].substr(0, position_resn[1].length - 1);
|
|
129270
|
+
thisClass.updateRnacanvas(nonWC);
|
|
129271
|
+
me.htmlCls.clickMenuCls.setLogCmd('update rnacanvas ' + nonWC, true);
|
|
129272
|
+
});
|
|
129094
129273
|
|
|
129095
|
-
|
|
129096
|
-
|
|
129274
|
+
$(document).on("from_rnacanvas", function(event, data) {
|
|
129275
|
+
let pos_resn = data.split('_');
|
|
129276
|
+
let resn = pos_resn[1];
|
|
129097
129277
|
|
|
129098
|
-
|
|
129099
|
-
|
|
129100
|
-
}
|
|
129101
|
-
else {
|
|
129102
|
-
let oneLetterRes = me.utilsCls.residueName2Abbr(atom.resn);
|
|
129278
|
+
let resid = ic.ncbi2resid[ic.rnacanvas_chainid + '_' + pos_resn[0]];
|
|
129279
|
+
let atom = ic.firstAtomObjCls.getFirstAtomObj(ic.residues[resid]);
|
|
129103
129280
|
|
|
129104
|
-
|
|
129281
|
+
if(!atom) {
|
|
129282
|
+
var aaa = 1; //alert('This residue has no 3D coordinates...');
|
|
129283
|
+
}
|
|
129284
|
+
else {
|
|
129285
|
+
let oneLetterRes = me.utilsCls.residueName2Abbr(atom.resn);
|
|
129105
129286
|
|
|
129106
|
-
|
|
129107
|
-
|
|
129287
|
+
if(resn != oneLetterRes) {
|
|
129288
|
+
console.log('The residue name in 2D ' + resn + ' did not match that in 3D view ' + oneLetterRes + '...');
|
|
129289
|
+
}
|
|
129290
|
+
//else {
|
|
129291
|
+
// highlight the selected residue
|
|
129292
|
+
if(ic.bCtrl || ic.bShift) {
|
|
129293
|
+
ic.hAtoms = me.hashUtilsCls.unionHash(ic.hAtoms, ic.residues[resid]);
|
|
129108
129294
|
}
|
|
129109
129295
|
else {
|
|
129110
|
-
|
|
129111
|
-
if(ic.bCtrl || ic.bShift) {
|
|
129112
|
-
ic.hAtoms = me.hashUtilsCls.unionHash(ic.hAtoms, ic.residues[resid]);
|
|
129113
|
-
}
|
|
129114
|
-
else {
|
|
129115
|
-
ic.hAtoms = ic.residues[resid];
|
|
129116
|
-
}
|
|
129117
|
-
|
|
129118
|
-
ic.hlUpdateCls.showHighlight();
|
|
129296
|
+
ic.hAtoms = ic.residues[resid];
|
|
129119
129297
|
}
|
|
129120
|
-
}
|
|
129121
129298
|
|
|
129122
|
-
|
|
129123
|
-
|
|
129124
|
-
textElem.setAttribute("stroke", "#f8b84e");
|
|
129125
|
-
textElem.setAttribute("stroke-width", "0.5px");
|
|
129299
|
+
ic.hlUpdateCls.showHighlight();
|
|
129300
|
+
//}
|
|
129126
129301
|
}
|
|
129127
|
-
});
|
|
129302
|
+
});
|
|
129128
129303
|
}
|
|
129129
129304
|
|
|
129130
129305
|
clickNode(node) { let ic = this.icn3d, me = ic.icn3dui;
|
|
@@ -129351,33 +129526,473 @@ class Diagram2d {
|
|
|
129351
129526
|
}
|
|
129352
129527
|
|
|
129353
129528
|
async drawR2dt(chainid) { let ic = this.icn3d, me = ic.icn3dui;
|
|
129354
|
-
ic.
|
|
129529
|
+
ic.bAddedCursors = false;
|
|
129355
129530
|
|
|
129356
|
-
let
|
|
129531
|
+
let pos = chainid.lastIndexOf('_');
|
|
129532
|
+
let pdbid = chainid.substr(0, pos);
|
|
129533
|
+
let chain = chainid.substr(pos + 1);
|
|
129357
129534
|
|
|
129358
|
-
|
|
129535
|
+
//https://9c5d031c.na-hackathon-2026.pages.dev/api.json
|
|
129536
|
+
//https://www.ebi.ac.uk/pdbe/static/entry/1ffk_2_9.json, or 1ffk_1_0.json [pdbid_molid_chain]
|
|
129537
|
+
if(!ic.chainid2molid) {
|
|
129538
|
+
ic.chainid2molid = {};
|
|
129539
|
+
|
|
129540
|
+
await ic.showAnnoCls.showAnnotations();
|
|
129541
|
+
let molidTmp = 1;
|
|
129542
|
+
for(let id in ic.nucleotide_chainid) {
|
|
129543
|
+
ic.chainid2molid[id] = molidTmp;
|
|
129544
|
+
++molidTmp;
|
|
129545
|
+
}
|
|
129546
|
+
}
|
|
129547
|
+
|
|
129548
|
+
let molid = ic.chainid2molid[chainid] ? ic.chainid2molid[chainid] : 1;
|
|
129549
|
+
|
|
129550
|
+
let url = "https://www.ebi.ac.uk/pdbe/static/entry/" + pdbid.toLowerCase() + "_" + molid + "_" + chain + ".json";
|
|
129551
|
+
let apiData = await me.getAjaxPromise(url, 'json', undefined, 'The chain ' + chainid + ' with molid ' + molid + ' has no R2DT information in PDBe...');
|
|
129552
|
+
|
|
129553
|
+
//https://9c5d031c.na-hackathon-2026.pages.dev/fr3d.json
|
|
129554
|
+
//https://www.ebi.ac.uk/pdbe/static/entry/1ffk_9_basepair.json
|
|
129555
|
+
let url2 = "https://www.ebi.ac.uk/pdbe/static/entry/" + pdbid.toLowerCase() + "_" + chain + "_basepair.json";
|
|
129556
|
+
let fr3dData = await me.getAjaxPromise(url2, 'json', undefined, 'The chain ' + chainid + ' with molid ' + molid + ' has no FR3D information in PDBe...');
|
|
129359
129557
|
|
|
129360
129558
|
let html = '';
|
|
129361
|
-
|
|
129362
|
-
|
|
129363
|
-
|
|
129364
|
-
|
|
129365
|
-
|
|
129559
|
+
|
|
129560
|
+
html += "<link rel='stylesheet' type='text/css' href='./script/pdb-rna-viewer-0.3.0.css'>\n";
|
|
129561
|
+
html += "<div id='pdb-rna-viewer' style='width: " + ($(window).width() / 2 - 150) + "px; height: " + ($(window).height() - 240) + "px'></div>\n";
|
|
129562
|
+
html += "<script type='text/javascript' src='./script/pdb-rna-viewer-plugin-0.3.0.js'></script>\n";
|
|
129563
|
+
html += "<script type='text/javascript'>\n";
|
|
129564
|
+
html += " var rnaPlugin = new PdbRnaViewerPlugin();\n";
|
|
129565
|
+
html += " rnaPlugin.render(\n";
|
|
129566
|
+
html += " document.getElementById('pdb-rna-viewer'),\n";
|
|
129567
|
+
html += " {\n";
|
|
129568
|
+
html += " pdbId: '" + pdbid.toLowerCase() + "',\n";
|
|
129569
|
+
html += " entityId: '1',\n";
|
|
129570
|
+
html += " chainId: '" + chain + "',\n";
|
|
129571
|
+
html += " subscribeEvents: true,\n";
|
|
129572
|
+
html += " apiData: " + JSON.stringify(apiData) + ",\n";
|
|
129573
|
+
html += " FR3DData: " + JSON.stringify(fr3dData) + ",\n";
|
|
129574
|
+
html += " theme: { unobservedColor: '#bbbbbb' },\n";
|
|
129575
|
+
html += " }\n";
|
|
129576
|
+
html += " );\n";
|
|
129577
|
+
html += "</script>\n";
|
|
129578
|
+
|
|
129579
|
+
$("#" + me.pre + "2ddiagramDiv").html(html);
|
|
129580
|
+
|
|
129581
|
+
setTimeout(function(){
|
|
129582
|
+
// grey out residues without 3D coordinates
|
|
129583
|
+
const unobserved = apiData.unobserved_label_seq_ids || [];
|
|
129584
|
+
const PDB_LOWER = pdbid.toLowerCase();
|
|
129585
|
+
unobserved.forEach((seqId) => {
|
|
129586
|
+
document
|
|
129587
|
+
.querySelectorAll(`text.rnaview_${PDB_LOWER}_${seqId}`)
|
|
129588
|
+
.forEach((el) => { el.setAttribute('fill', '#bbbbbb');});
|
|
129589
|
+
});
|
|
129590
|
+
|
|
129591
|
+
// click 2D to show in 3D
|
|
129592
|
+
document.addEventListener('PDB.RNA.viewer.click', (ev) => {
|
|
129593
|
+
// $(document).on("PDB.RNA.viewer.click", function(ev, data) {
|
|
129594
|
+
let posArray = [];
|
|
129595
|
+
const d = ev.eventData || ev.detail || {};
|
|
129596
|
+
if (Array.isArray(d.label_seq_ids)) posArray = d.label_seq_ids;
|
|
129597
|
+
if (d.label_seq_id !== undefined && d.label_seq_id !== null) posArray = [d.label_seq_id];
|
|
129598
|
+
|
|
129599
|
+
let hAtoms = {};
|
|
129600
|
+
for(let i = 0, il = posArray.length; i < il; ++i) {
|
|
129601
|
+
let resid = ic.ncbi2resid[chainid + '_' + posArray[i]];
|
|
129602
|
+
// highlight the selected residue
|
|
129603
|
+
hAtoms = me.hashUtilsCls.unionHash(hAtoms, ic.residues[resid]);
|
|
129604
|
+
}
|
|
129605
|
+
|
|
129606
|
+
if(ic.bCtrl || ic.bShift) {
|
|
129607
|
+
ic.hAtoms = me.hashUtilsCls.unionHash(ic.hAtoms, hAtoms);
|
|
129608
|
+
}
|
|
129609
|
+
else {
|
|
129610
|
+
ic.hAtoms = hAtoms;
|
|
129611
|
+
}
|
|
129612
|
+
|
|
129613
|
+
ic.hlUpdateCls.showHighlight();
|
|
129614
|
+
});
|
|
129615
|
+
|
|
129616
|
+
// click 3D to highlight in 2D
|
|
129617
|
+
$(document).on("icn3d.pick.click", function(ev, data) {
|
|
129618
|
+
// get the residue position in the selection
|
|
129619
|
+
let ncbiresid = data;
|
|
129620
|
+
let pos = ncbiresid.substr(ncbiresid.lastIndexOf('_') + 1);
|
|
129621
|
+
|
|
129622
|
+
document.dispatchEvent(new CustomEvent('protvista-click', {
|
|
129623
|
+
detail: { start: pos, end: pos }
|
|
129624
|
+
}));
|
|
129625
|
+
});
|
|
129626
|
+
|
|
129627
|
+
$(document).on("icn3d.pick.mouseover", function(ev, data) {
|
|
129628
|
+
// get the residue position in the selection
|
|
129629
|
+
let ncbiresid = data;
|
|
129630
|
+
let pos = ncbiresid.substr(ncbiresid.lastIndexOf('_') + 1);
|
|
129631
|
+
|
|
129632
|
+
document.dispatchEvent(new CustomEvent('protvista-mouseover', {
|
|
129633
|
+
detail: { start: pos, end: pos }
|
|
129634
|
+
}));
|
|
129635
|
+
});
|
|
129636
|
+
|
|
129637
|
+
}, 1000);
|
|
129638
|
+
|
|
129639
|
+
me.htmlCls.dialogCls.openDlg('dl_2ddiagram', 'Show R2DT Diagram for chain ' + chainid);
|
|
129640
|
+
}
|
|
129641
|
+
|
|
129642
|
+
async getDotbracket(chainid) { let ic = this.icn3d, me = ic.icn3dui;
|
|
129643
|
+
let pos = chainid.lastIndexOf('_');
|
|
129644
|
+
let pdbid = chainid.substr(0, pos);
|
|
129645
|
+
let chain = chainid.substr(pos + 1);
|
|
129646
|
+
|
|
129647
|
+
let result;
|
|
129648
|
+
if(ic.chain2pairs_resns_lw) {
|
|
129649
|
+
let pairs_resns_lw = ic.chain2pairs_resns_lw[chain];
|
|
129650
|
+
let pairs = [], lw2pairs = {};
|
|
129651
|
+
|
|
129652
|
+
for(let i = 0, il = pairs_resns_lw.length; i < il; i += 5) {
|
|
129653
|
+
let pos1 = pairs_resns_lw[i];
|
|
129654
|
+
let pos2 = pairs_resns_lw[i + 1];
|
|
129655
|
+
pairs_resns_lw[i + 2];
|
|
129656
|
+
pairs_resns_lw[i + 3];
|
|
129657
|
+
let lw = pairs_resns_lw[i + 4];
|
|
129658
|
+
|
|
129659
|
+
if(lw == 'cWW') {
|
|
129660
|
+
pairs.push([parseInt(pos1), parseInt(pos2)]);
|
|
129661
|
+
}
|
|
129662
|
+
else {
|
|
129663
|
+
if(!lw2pairs[lw]) lw2pairs[lw] = [];
|
|
129664
|
+
lw2pairs[lw].push(parseInt(pos1));
|
|
129665
|
+
lw2pairs[lw].push(parseInt(pos2));
|
|
129666
|
+
}
|
|
129667
|
+
}
|
|
129668
|
+
|
|
129669
|
+
result = this.pairs2dotbracket(pairs, lw2pairs, chainid);
|
|
129670
|
+
}
|
|
129671
|
+
else {
|
|
129672
|
+
let url = "https://rna.bgsu.edu/rna3dhub/pdb/" + pdbid + "/interactions/fr3d/basepairs/tsv";
|
|
129673
|
+
|
|
129674
|
+
let data = await me.getAjaxPromise(url, 'text');
|
|
129675
|
+
if(!data || data == 'Not a valid PDB id.') {
|
|
129676
|
+
var aaa = 1; //alert('The chain ' + chainid + ' has no basepair information in FR3D...');
|
|
129677
|
+
return;
|
|
129678
|
+
}
|
|
129679
|
+
|
|
129680
|
+
let ret2 = this.fr3d2pairs(data, chainid); //pairs_lw2pairs_annotations
|
|
129681
|
+
// annotations = ret2.anno;
|
|
129682
|
+
result = this.pairs2dotbracket(ret2.pairs, ret2.lw2pairs, chainid);
|
|
129683
|
+
}
|
|
129684
|
+
|
|
129685
|
+
|
|
129686
|
+
return result;
|
|
129687
|
+
}
|
|
129688
|
+
|
|
129689
|
+
fr3d2pairs(data, chainid) { let ic = this.icn3d; ic.icn3dui;
|
|
129690
|
+
let pos = chainid.lastIndexOf('_');
|
|
129691
|
+
let chain = chainid.substr(pos + 1);
|
|
129692
|
+
|
|
129693
|
+
let lines = data.split('\n');
|
|
129694
|
+
|
|
129695
|
+
let pairs = []; // 0-based, only for canonical base pairs
|
|
129696
|
+
let lw2pairs = {}; // 1-based, for non-canonical base pairs and base stacking interactions
|
|
129697
|
+
for (let i in lines) {
|
|
129698
|
+
let line = lines[i]; // e.g., 9CFN|1|A|A|2 cWW 9CFN|1|A|U|38
|
|
129699
|
+
let from_type_to = line.trim().split('\t');
|
|
129700
|
+
if(from_type_to.length != 3) continue;
|
|
129701
|
+
|
|
129702
|
+
let fromArray = from_type_to[0].split('|'), toArray = from_type_to[2].split('|');
|
|
129703
|
+
if(fromArray.length != 5 || toArray.length != 5) continue;
|
|
129704
|
+
if(fromArray[2] != chain || toArray[2] != chain) continue;
|
|
129705
|
+
let resi1 = fromArray[4], resi2 = toArray[4];
|
|
129706
|
+
let ncbiResid1 = ic.resid2ncbi[chainid + '_' + resi1], ncbiResid2 = ic.resid2ncbi[chainid + '_' + resi2];
|
|
129707
|
+
let pos1 = parseInt(ncbiResid1.substr(ncbiResid1.lastIndexOf('_') + 1)) - 1, pos2 = parseInt(ncbiResid2.substr(ncbiResid2.lastIndexOf('_') + 1)) - 1;
|
|
129366
129708
|
|
|
129367
|
-
//
|
|
129368
|
-
|
|
129369
|
-
|
|
129370
|
-
|
|
129371
|
-
|
|
129372
|
-
|
|
129373
|
-
|
|
129709
|
+
if(pos1 > pos2) continue; // each pair is listed twice in FR3D data, with the from and to residues swapped. Only process the one with pos1 < pos2 to avoid duplication.
|
|
129710
|
+
|
|
129711
|
+
if(from_type_to[1] == 'cWW') {
|
|
129712
|
+
if(fromArray[2] == chain && toArray[2] == chain) {
|
|
129713
|
+
pairs.push([Math.min(pos1, pos2), Math.max(pos1, pos2)]);
|
|
129714
|
+
}
|
|
129715
|
+
}
|
|
129716
|
+
else {
|
|
129717
|
+
let type = from_type_to[1];
|
|
129718
|
+
if(!lw2pairs[type]) lw2pairs[type] = [];
|
|
129719
|
+
|
|
129720
|
+
lw2pairs[type].push(pos1);
|
|
129721
|
+
lw2pairs[type].push(pos2);
|
|
129722
|
+
}
|
|
129723
|
+
|
|
129724
|
+
}
|
|
129725
|
+
|
|
129726
|
+
return {'pairs': pairs, 'lw2pairs': lw2pairs};
|
|
129727
|
+
}
|
|
129728
|
+
|
|
129729
|
+
isCrossed(pair1, pair2) {
|
|
129730
|
+
let i = pair1[0], j = pair1[1];
|
|
129731
|
+
let k = pair2[0], l = pair2[1];
|
|
129732
|
+
return (i < k && k < j && j < l) || (k < i && i < l && l < j);
|
|
129733
|
+
}
|
|
129734
|
+
|
|
129735
|
+
// modified from a python script by Eugene Baulin (https://imol.institute/leaders/baulin-group/)
|
|
129736
|
+
// pairs: list of (i, j) with 0 <= i < j < length
|
|
129737
|
+
pairs2dotbracket(pairs, lw2pairs, chainid) { let ic = this.icn3d; ic.icn3dui;
|
|
129738
|
+
//Dot-bracket notation for RNA secondary structures with pseudoknots.
|
|
129739
|
+
|
|
129740
|
+
//Positions are 0-indexed. Crossing pairs require different bracket types.
|
|
129741
|
+
//Levels are minimized by greedy coloring of the crossing graph, with pairs
|
|
129742
|
+
//sorted by ascending conflict count so that pairs involved in fewer crossings
|
|
129743
|
+
//(which form larger conflict-free groups) occupy the lower bracket levels.
|
|
129744
|
+
|
|
129745
|
+
//Bracket levels: () [] {} <> Aa Bb Cc ... Zz (30 levels total).
|
|
129746
|
+
|
|
129747
|
+
let BRACKETS = ['()', '[]', '{}', '<>'];
|
|
129748
|
+
for(let ch of 'ABCDEFGHIJKLMNOPQRSTUVWXYZ') {
|
|
129749
|
+
BRACKETS.push(ch + ch.toLowerCase());
|
|
129750
|
+
}
|
|
129751
|
+
|
|
129752
|
+
pairs.sort((a, b) => parseInt(a[0]) - parseInt(b[0]));
|
|
129753
|
+
|
|
129754
|
+
// Pairs with fewer crossings tend to belong to larger conflict-free groups
|
|
129755
|
+
// and should occupy lower levels. Sort ascending by crossing count so they
|
|
129756
|
+
// are placed at level 0 first; break ties by left endpoint for determinism.
|
|
129757
|
+
let pairstr2crosscnt = {};
|
|
129758
|
+
for(let i = 0, il = pairs.length; i < il; ++i) {
|
|
129759
|
+
let pairstr1 = pairs[i][0] + '_' + pairs[i][1];
|
|
129760
|
+
for(let j = i + 1; j < il; ++j) {
|
|
129761
|
+
let pairstr2 = pairs[j][0] + '_' + pairs[j][1];
|
|
129762
|
+
if(this.isCrossed(pairs[i], pairs[j])) {
|
|
129763
|
+
pairstr2crosscnt[pairstr1] = (pairstr2crosscnt[pairstr1] || 0) + 1;
|
|
129764
|
+
pairstr2crosscnt[pairstr2] = (pairstr2crosscnt[pairstr2] || 0) + 1;
|
|
129765
|
+
}
|
|
129766
|
+
}
|
|
129767
|
+
}
|
|
129768
|
+
|
|
129769
|
+
let pairsSortbyCross = pairs.sort((a, b) => {
|
|
129770
|
+
let pairstr1 = a[0] + '_' + a[1], pairstr2 = b[0] + '_' + b[1];
|
|
129771
|
+
let crosscnt1 = pairstr2crosscnt[pairstr1] || 0, crosscnt2 = pairstr2crosscnt[pairstr2] || 0;
|
|
129772
|
+
if(crosscnt1 != crosscnt2) {
|
|
129773
|
+
return crosscnt1 - crosscnt2;
|
|
129774
|
+
} else {
|
|
129775
|
+
return a[0] - b[0];
|
|
129776
|
+
}
|
|
129777
|
+
});
|
|
129778
|
+
|
|
129779
|
+
// Greedy level assignment: for each pair (in conflict-count order),
|
|
129780
|
+
// use the lowest level whose existing pairs do not cross it.
|
|
129781
|
+
let levels = []; // each level is an array of pairs
|
|
129782
|
+
for(let index = 0, indexl = pairsSortbyCross.length; index < indexl; ++index) {
|
|
129783
|
+
let pair = pairsSortbyCross[index];
|
|
129784
|
+
|
|
129785
|
+
if(levels.length == 0) {
|
|
129786
|
+
levels.push([pair]);
|
|
129787
|
+
continue;
|
|
129788
|
+
}
|
|
129789
|
+
|
|
129790
|
+
let bCrossed = false;
|
|
129791
|
+
for(let i = 0, il = levels.length; i < il; ++i) {
|
|
129792
|
+
bCrossed = false;
|
|
129793
|
+
|
|
129794
|
+
let level_pairs = levels[i];
|
|
129795
|
+
|
|
129796
|
+
for(let j = 0, jl = level_pairs.length; j < jl; ++j) {
|
|
129797
|
+
if(this.isCrossed(pair, level_pairs[j])) {
|
|
129798
|
+
bCrossed = true;
|
|
129799
|
+
break;
|
|
129374
129800
|
}
|
|
129375
129801
|
}
|
|
129376
|
-
|
|
129802
|
+
|
|
129803
|
+
if(!bCrossed) {
|
|
129804
|
+
levels[i].push(pair);
|
|
129805
|
+
break;
|
|
129806
|
+
}
|
|
129807
|
+
}
|
|
129808
|
+
|
|
129809
|
+
if(bCrossed) {
|
|
129810
|
+
levels.push([pair]);
|
|
129811
|
+
}
|
|
129377
129812
|
}
|
|
129378
|
-
|
|
129379
|
-
|
|
129813
|
+
|
|
129814
|
+
// Relabel so larger groups use lower-level brackets, minimising the total
|
|
129815
|
+
// number of characters at higher levels. Bracket types are just labels —
|
|
129816
|
+
// any permutation of levels is valid as long as pairs on the same level
|
|
129817
|
+
// do not cross.
|
|
129818
|
+
levels.sort((a, b) => b.length - a.length); // sort descending by group size
|
|
129819
|
+
|
|
129820
|
+
let dotb = [], seq = '';
|
|
129821
|
+
for(let i = 0; i < ic.chainsSeq[chainid].length; ++i) {
|
|
129822
|
+
dotb.push('.');
|
|
129823
|
+
seq += ic.chainsSeq[chainid][i].name;
|
|
129380
129824
|
}
|
|
129825
|
+
|
|
129826
|
+
let type = 'cWW';
|
|
129827
|
+
if(!lw2pairs[type]) lw2pairs[type] = [];
|
|
129828
|
+
|
|
129829
|
+
for(let i = 0, il = levels.length; i < il; ++i) {
|
|
129830
|
+
let pairs = levels[i];
|
|
129831
|
+
for(let j = 0, jl = pairs.length; j < jl; ++j) {
|
|
129832
|
+
dotb[pairs[j][0]] = BRACKETS[i][0];
|
|
129833
|
+
dotb[pairs[j][1]] = BRACKETS[i][1];
|
|
129834
|
+
|
|
129835
|
+
if(i > 0) { // level 0 is for nested base pairs
|
|
129836
|
+
lw2pairs[type].push(pairs[j][0] + 1); // 1-based
|
|
129837
|
+
lw2pairs[type].push(pairs[j][1] + 1);
|
|
129838
|
+
}
|
|
129839
|
+
}
|
|
129840
|
+
}
|
|
129841
|
+
|
|
129842
|
+
return {'dotb': dotb.join(''), 'seq': seq, 'lw2pairs': lw2pairs};
|
|
129843
|
+
}
|
|
129844
|
+
|
|
129845
|
+
async drawRnacanvas(chainid) { let ic = this.icn3d, me = ic.icn3dui;
|
|
129846
|
+
ic.bAddedCursors = false;
|
|
129847
|
+
|
|
129848
|
+
ic.rnacanvas_chainid = chainid;
|
|
129849
|
+
|
|
129850
|
+
let pos = chainid.lastIndexOf('_');
|
|
129851
|
+
chainid.substr(0, pos);
|
|
129852
|
+
|
|
129853
|
+
let result = await this.getDotbracket(chainid);
|
|
129854
|
+
|
|
129855
|
+
ic.dot_bracket = result.dotb;
|
|
129856
|
+
ic.rnaseq = result.seq;
|
|
129857
|
+
ic.lw2pairs = result.lw2pairs;
|
|
129858
|
+
|
|
129859
|
+
let nonWC = '';
|
|
129860
|
+
this.updateRnacanvas(nonWC);
|
|
129861
|
+
//me.htmlCls.clickMenuCls.setLogCmd('update forna ' + nonWC, true);
|
|
129862
|
+
|
|
129863
|
+
me.htmlCls.dialogCls.openDlg('dl_rnacanvas', 'Show 2D Diagram for chain ' + chainid + ' with RNAcanvas');
|
|
129864
|
+
$("#" + me.pre + "basepairType").resizable();
|
|
129865
|
+
}
|
|
129866
|
+
|
|
129867
|
+
updateRnacanvas(nonWC) { let ic = this.icn3d, me = ic.icn3dui;
|
|
129868
|
+
let html = '';
|
|
129869
|
+
|
|
129870
|
+
html += "<div id='rnacanvasSvg'></div>\n";
|
|
129871
|
+
|
|
129872
|
+
html += "<script type='module'>\n";
|
|
129873
|
+
//html += " import 'https://cdn.jsdelivr.net/npm/@rnacanvas/embedded@3.1.0';\n";
|
|
129874
|
+
html += " import './script/rnacanvas-4.0.0.js';\n";
|
|
129875
|
+
html += "</script>\n";
|
|
129876
|
+
|
|
129877
|
+
html += "<script type='text/javascript'>\n";
|
|
129878
|
+
html += "var attempts = 0;\n";
|
|
129879
|
+
html += "var tick = () => {\n";
|
|
129880
|
+
html += " if (typeof RNAcanvas !== 'undefined') {\n";
|
|
129881
|
+
|
|
129882
|
+
// html += "<script type='text/javascript'>\n";
|
|
129883
|
+
// html += "setTimeout(function(){\n";
|
|
129884
|
+
html += " // create a new RNAcanvas app instance\n";
|
|
129885
|
+
html += " var rnaCanvas = new RNAcanvas();\n";
|
|
129886
|
+
html += " // Target your container and append the canvas element\n";
|
|
129887
|
+
html += " var container = document.getElementById('rnacanvasSvg');\n";
|
|
129888
|
+
html += " rnaCanvas.appendTo(container);\n";
|
|
129889
|
+
html += " // control the size of the component\n";
|
|
129890
|
+
html += " rnaCanvas.domNode.style.width = '" + ($(window).width() / 2 - 150) + "px';\n";
|
|
129891
|
+
html += " rnaCanvas.domNode.style.height = '" + ($(window).height() - 200) + "px';\n";
|
|
129892
|
+
//html += " rnaCanvas.domNode.style.width = '600px';\n";
|
|
129893
|
+
//html += " rnaCanvas.domNode.style.height = '600px';\n";
|
|
129894
|
+
html += " // Render the structure\n";
|
|
129895
|
+
html += " rnaCanvas.drawDotBracket('" + ic.rnaseq + "', '" + ic.dot_bracket + "');\n";
|
|
129896
|
+
html += " // add padding around the drawn structure\n";
|
|
129897
|
+
html += " rnaCanvas.drawing.setPadding(20);\n";
|
|
129898
|
+
//html += " rnaCanvas.drawing.setPadding(1000);\n";
|
|
129899
|
+
html += " // bring the drawn structure into view\n";
|
|
129900
|
+
html += " rnaCanvas.drawingView.fitToContent();\n";
|
|
129901
|
+
html += " $('.UDedZ1UaiPZJsRmm1yxA').hide();\n"; // hide the "Powered by RNAcanvas" label
|
|
129902
|
+
|
|
129903
|
+
html += "var pos2node = {}, id2pos = {};\n";
|
|
129904
|
+
html += "var nodes = rnaCanvas.drawing.bases;\n";
|
|
129905
|
+
|
|
129906
|
+
html += "for (var i = 0, il = nodes.length; i < il; i++) {\n";
|
|
129907
|
+
html += " pos2node[i + 1] = nodes[i];\n";
|
|
129908
|
+
html += " id2pos[nodes[i].id] = i + 1;\n";
|
|
129909
|
+
html += "}\n";
|
|
129910
|
+
|
|
129911
|
+
html += "$(document).on('click', '#rnacanvasSvg svg text', function(e) {\n";
|
|
129912
|
+
html += " var id = $(this).attr('id');\n";
|
|
129913
|
+
html += " // clear all node color\n";
|
|
129914
|
+
html += " for (var i = 0, il = nodes.length; i < il; i++) {\n";
|
|
129915
|
+
html += " nodes[i].setAttribute('fill', '#000');\n";
|
|
129916
|
+
html += " }\n";
|
|
129917
|
+
html += " $(this)[0].setAttribute('fill', '#f8b84e');\n";
|
|
129918
|
+
|
|
129919
|
+
html += " var pos = id2pos[id];\n";
|
|
129920
|
+
html += " var resn = $(this).text().split(' ')[0];\n"; //C Position 8
|
|
129921
|
+
html += " $(document).trigger('from_rnacanvas', pos + '_' + resn);\n";
|
|
129922
|
+
html += " document.dispatchEvent(event);\n";
|
|
129923
|
+
html += "});\n";
|
|
129924
|
+
|
|
129925
|
+
html += "$(document).on('mouseover', '#rnacanvasSvg svg text', function(e) {\n";
|
|
129926
|
+
html += " var id = $(this).attr('id');\n";
|
|
129927
|
+
html += " $(this)[0].setAttribute('fill', '#f8b84e');\n";
|
|
129928
|
+
|
|
129929
|
+
html += " if(!$(this)[0].querySelector('title')) {\n";
|
|
129930
|
+
html += " var title = document.createElementNS('http://www.w3.org/2000/svg', 'title');\n";
|
|
129931
|
+
html += " title.textContent = ' Position ' + id2pos[id];\n";
|
|
129932
|
+
html += " $(this)[0].appendChild(title);\n";
|
|
129933
|
+
html += " }\n";
|
|
129934
|
+
html += "});\n";
|
|
129935
|
+
|
|
129936
|
+
html += "$(document).on('mouseout', '#rnacanvasSvg svg text', function(e) {\n";
|
|
129937
|
+
html += " var id = $(this).attr('id');\n";
|
|
129938
|
+
html += " $(this)[0].setAttribute('fill', '#000');\n";
|
|
129939
|
+
html += "});\n";
|
|
129940
|
+
|
|
129941
|
+
// click 3D to highlight in 2D
|
|
129942
|
+
html += "$(document).on('icn3d.pick.click icn3d.pick.mouseover', function(ev, data) {\n";
|
|
129943
|
+
html += " // get the residues in the selection\n";
|
|
129944
|
+
html += " var ncbiresid = data;\n";
|
|
129945
|
+
html += " var pos = ncbiresid.substr(ncbiresid.lastIndexOf('_') + 1);\n";
|
|
129946
|
+
|
|
129947
|
+
html += " // clear all node color\n";
|
|
129948
|
+
html += " for (var i = 0, il = nodes.length; i < il; i++) {\n";
|
|
129949
|
+
html += " nodes[i].setAttribute('fill', '#000');\n";
|
|
129950
|
+
html += " }\n";
|
|
129951
|
+
|
|
129952
|
+
html += " var node = pos2node[parseInt(pos)];\n";
|
|
129953
|
+
html += " node.setAttribute('fill', '#f8b84e');\n";
|
|
129954
|
+
html += "});\n";
|
|
129955
|
+
|
|
129956
|
+
if(nonWC) {
|
|
129957
|
+
let lwTypesTmp = nonWC.split(',');
|
|
129958
|
+
let lwTypes = [...new Set(lwTypesTmp)]; // unique
|
|
129959
|
+
|
|
129960
|
+
for(let i = 0, il = lwTypes.length; i < il; ++i) {
|
|
129961
|
+
let type = lwTypes[i];
|
|
129962
|
+
let pairs = ic.lw2pairs[type];
|
|
129963
|
+
if(!pairs) continue;
|
|
129964
|
+
|
|
129965
|
+
for(let j = 0, jl = pairs.length; j < jl; j += 2) {
|
|
129966
|
+
let pos1 = pairs[j], pos2 = pairs[j + 1];
|
|
129967
|
+
html += "if(pos2node[" + pos1 + "] && pos2node[" + pos2 + "]) {\n";
|
|
129968
|
+
html += " var node1 = pos2node[" + pos1 + "].centerPoint;\n";
|
|
129969
|
+
html += " var node2 = pos2node[" + pos2 + "].centerPoint;\n";
|
|
129970
|
+
html += " const line = document.createElementNS('http://www.w3.org/2000/svg', 'line');\n";
|
|
129971
|
+
html += " line.setAttribute('x1', node1.x);\n";
|
|
129972
|
+
html += " line.setAttribute('y1', node1.y);\n";
|
|
129973
|
+
html += " line.setAttribute('x2', node2.x);\n";
|
|
129974
|
+
html += " line.setAttribute('y2', node2.y);\n";
|
|
129975
|
+
html += " line.setAttribute('stroke', 'black');\n";
|
|
129976
|
+
html += " line.setAttribute('stroke-width', '1');\n";
|
|
129977
|
+
html += " line.setAttribute('title', '" + type + "');\n";
|
|
129978
|
+
html += " rnaCanvas.drawing.domNode.appendChild(line);";
|
|
129979
|
+
html += "}\n";
|
|
129980
|
+
}
|
|
129981
|
+
}
|
|
129982
|
+
}
|
|
129983
|
+
|
|
129984
|
+
// html += "}, 10000);\n";
|
|
129985
|
+
|
|
129986
|
+
html += " return;\n";
|
|
129987
|
+
html += " }\n";
|
|
129988
|
+
html += " if (attempts++ > 200) return;\n";
|
|
129989
|
+
html += " setTimeout(tick, 100);\n";
|
|
129990
|
+
html += "};\n";
|
|
129991
|
+
html += "tick();\n";
|
|
129992
|
+
|
|
129993
|
+
html += "</script>\n";
|
|
129994
|
+
|
|
129995
|
+
$("#" + me.pre + "rnacanvasDiv").html(html);
|
|
129381
129996
|
}
|
|
129382
129997
|
|
|
129383
129998
|
async drawIgdgm(chainid) { let ic = this.icn3d, me = ic.icn3dui;
|
|
@@ -129434,7 +130049,7 @@ class Diagram2d {
|
|
|
129434
130049
|
if(refnumLabel) {
|
|
129435
130050
|
refnumStr = ic.refnumCls.rmStrandFromRefnumlabel(refnumLabel);
|
|
129436
130051
|
if(!refnum2resn[domainid]) refnum2resn[domainid] = {};
|
|
129437
|
-
refnum2resn[domainid][refnumStr] = resn;
|
|
130052
|
+
refnum2resn[domainid][refnumStr] = resn + resid.split('_')[2];
|
|
129438
130053
|
}
|
|
129439
130054
|
}
|
|
129440
130055
|
|
|
@@ -129447,6 +130062,8 @@ class Diagram2d {
|
|
|
129447
130062
|
|
|
129448
130063
|
const mainWorkbook = new ExcelJS.Workbook();
|
|
129449
130064
|
|
|
130065
|
+
let ig2width = {'IgC1': 17, 'IgC2': 18, 'IgI': 19, 'IgV': 19};
|
|
130066
|
+
|
|
129450
130067
|
for(let i = 0, il = igArray.length; i < il; ++i) {
|
|
129451
130068
|
let domainid = igArray[i].domainid;
|
|
129452
130069
|
let igType = igTypeArray[i];
|
|
@@ -129464,10 +130081,8 @@ class Diagram2d {
|
|
|
129464
130081
|
|
|
129465
130082
|
const newSheet = mainWorkbook.addWorksheet();
|
|
129466
130083
|
// Clone the model to transfer styles and data
|
|
129467
|
-
newSheet.model =
|
|
129468
|
-
|
|
129469
|
-
name: (i + 1) + ". " + igType
|
|
129470
|
-
};
|
|
130084
|
+
newSheet.model = worksheet.model;
|
|
130085
|
+
newSheet.name = (i + 1) + ". " + igType;
|
|
129471
130086
|
|
|
129472
130087
|
// Iterate over all rows that have values
|
|
129473
130088
|
newSheet.eachRow({ includeEmpty: true }, (row, rowNumber) => {
|
|
@@ -129482,8 +130097,28 @@ class Diagram2d {
|
|
|
129482
130097
|
cell.value = '';
|
|
129483
130098
|
}
|
|
129484
130099
|
}
|
|
130100
|
+
else if(cell.value == 'NUMBERING') {
|
|
130101
|
+
cell.value = '';
|
|
130102
|
+
}
|
|
129485
130103
|
});
|
|
129486
130104
|
});
|
|
130105
|
+
|
|
130106
|
+
// copy the original data
|
|
130107
|
+
let colNum = ig2width[igType]; // some extra columns
|
|
130108
|
+
for(let i = 1; i <= colNum; ++i) {
|
|
130109
|
+
const sourceCol = worksheet.getColumn(i);
|
|
130110
|
+
|
|
130111
|
+
// Copy values and styles
|
|
130112
|
+
sourceCol.eachCell({ includeEmpty: true }, (cell, rowNumber) => {
|
|
130113
|
+
const targetCell = newSheet.getRow(rowNumber).getCell(colNum + 2 + i);
|
|
130114
|
+
|
|
130115
|
+
targetCell.value = cell.value;
|
|
130116
|
+
targetCell.style = cell.style; // Copies font, borders, and fills
|
|
130117
|
+
});
|
|
130118
|
+
|
|
130119
|
+
// reset width for each column
|
|
130120
|
+
newSheet.getColumn(colNum + 2 + i).width = worksheet.getColumn(i).width;
|
|
130121
|
+
}
|
|
129487
130122
|
}
|
|
129488
130123
|
}
|
|
129489
130124
|
|
|
@@ -131532,7 +132167,7 @@ class SaveFile {
|
|
|
131532
132167
|
}
|
|
131533
132168
|
}
|
|
131534
132169
|
|
|
131535
|
-
saveSvg(id, filename, bContactmap, bLigplot) { let ic = this.icn3d, me = ic.icn3dui;
|
|
132170
|
+
saveSvg(id, filename, bContactmap, bLigplot, bClassName) { let ic = this.icn3d, me = ic.icn3dui;
|
|
131536
132171
|
if(me.bNode) return '';
|
|
131537
132172
|
|
|
131538
132173
|
let width = $("#" + id).width();
|
|
@@ -131545,17 +132180,24 @@ class SaveFile {
|
|
|
131545
132180
|
height += ic.len4ang;
|
|
131546
132181
|
}
|
|
131547
132182
|
|
|
131548
|
-
let svgXml = this.getSvgXml(id, width, height, bContactmap, bLigplot);
|
|
132183
|
+
let svgXml = this.getSvgXml(id, width, height, bContactmap, bLigplot, bClassName);
|
|
132184
|
+
|
|
132185
|
+
if(id == me.rnacanvasid) { // replace the font to 8
|
|
132186
|
+
svgXml = svgXml.replace('font-size: 18px', 'font-size: 8px');
|
|
132187
|
+
}
|
|
131549
132188
|
|
|
131550
132189
|
let blob = new Blob([svgXml], {type: "image/svg+xml"});
|
|
131551
132190
|
saveAs(blob, filename);
|
|
131552
132191
|
}
|
|
131553
132192
|
|
|
131554
|
-
getSvgXml(id, width, height, bContactmap, bLigplot) { let ic = this.icn3d, me = ic.icn3dui;
|
|
132193
|
+
getSvgXml(id, width, height, bContactmap, bLigplot, bClassName) { let ic = this.icn3d, me = ic.icn3dui;
|
|
131555
132194
|
if(me.bNode) return '';
|
|
131556
132195
|
|
|
131557
132196
|
// font is not good
|
|
131558
|
-
let svg_data = document.getElementById(id).innerHTML; //put id of your svg element here
|
|
132197
|
+
let svg_data = (!bClassName) ? document.getElementById(id).innerHTML : document.querySelector('.' + id).innerHTML; //put id of your svg element here
|
|
132198
|
+
svg_data = svg_data.replace(/ fill=" #ccc"=""/g, '" fill="#ccc"'); // fix some data
|
|
132199
|
+
svg_data = svg_data.replace(/style="cursor: pointer;"/g, '');
|
|
132200
|
+
svg_data = svg_data.replace(/ font-size="/g, ' style="font-size: ');
|
|
131559
132201
|
|
|
131560
132202
|
let startX = (bLigplot) ? -30 : 0;
|
|
131561
132203
|
let startY = (bLigplot) ? -30 : 0;
|
|
@@ -131845,10 +132487,10 @@ class SaveFile {
|
|
|
131845
132487
|
for(let n = 0; n < 3; ++n) {
|
|
131846
132488
|
let nNum = n + 1;
|
|
131847
132489
|
stru2header[stru] += "REMARK 350 BIOMT" + nNum.toString() + " " + mNum.toString().padStart(2, ' ')
|
|
131848
|
-
+ " " + ic.biomtMatrices[m].elements[n + 0].toFixed(6).toString().padStart(9, ' ')
|
|
131849
|
-
+ " " + ic.biomtMatrices[m].elements[n + 4].toFixed(6).toString().padStart(9, ' ')
|
|
131850
|
-
+ " " + ic.biomtMatrices[m].elements[n + 8].toFixed(6).toString().padStart(9, ' ')
|
|
131851
|
-
+ " " + ic.biomtMatrices[m].elements[n + 12].toFixed(6).toString().padStart(14, ' ') + "\n";
|
|
132490
|
+
+ " " + parseFloat(ic.biomtMatrices[m].elements[n + 0]).toFixed(6).toString().padStart(9, ' ')
|
|
132491
|
+
+ " " + parseFloat(ic.biomtMatrices[m].elements[n + 4]).toFixed(6).toString().padStart(9, ' ')
|
|
132492
|
+
+ " " + parseFloat(ic.biomtMatrices[m].elements[n + 8]).toFixed(6).toString().padStart(9, ' ')
|
|
132493
|
+
+ " " + parseFloat(ic.biomtMatrices[m].elements[n + 12]).toFixed(6).toString().padStart(14, ' ') + "\n";
|
|
131852
132494
|
}
|
|
131853
132495
|
}
|
|
131854
132496
|
}
|
|
@@ -133289,7 +133931,7 @@ class Export3D {
|
|
|
133289
133931
|
let mat = ic.biomtMatrices[i];
|
|
133290
133932
|
if(mat === undefined) continue;
|
|
133291
133933
|
// skip itself
|
|
133292
|
-
if(
|
|
133934
|
+
if(me.utilsCls.compMatrix(mat, identity, 16)) continue;
|
|
133293
133935
|
let time =(i + 1) * 100;
|
|
133294
133936
|
//https://stackoverflow.com/questions/1190642/how-can-i-pass-a-parameter-to-a-settimeout-callback
|
|
133295
133937
|
setTimeout(function(mat, index){
|
|
@@ -133331,7 +133973,7 @@ class Export3D {
|
|
|
133331
133973
|
let mat = ic.biomtMatrices[i];
|
|
133332
133974
|
if(mat === undefined) continue;
|
|
133333
133975
|
// skip itself
|
|
133334
|
-
if(
|
|
133976
|
+
if(me.utilsCls.compMatrix(mat, identity, 16)) continue;
|
|
133335
133977
|
let time =(i + 1) * 100;
|
|
133336
133978
|
//https://stackoverflow.com/questions/1190642/how-can-i-pass-a-parameter-to-a-settimeout-callback
|
|
133337
133979
|
setTimeout(function(mat, index){
|
|
@@ -133448,7 +134090,7 @@ class Export3D {
|
|
|
133448
134090
|
if(mat1 === undefined) continue;
|
|
133449
134091
|
|
|
133450
134092
|
// skip itself
|
|
133451
|
-
if(
|
|
134093
|
+
if(me.utilsCls.compMatrix(mat1, identity, 16)) continue;
|
|
133452
134094
|
|
|
133453
134095
|
blobArray = this.processStlMeshGroup( ic.mdl, blobArray, mat1 );
|
|
133454
134096
|
|
|
@@ -133547,7 +134189,7 @@ class Export3D {
|
|
|
133547
134189
|
|
|
133548
134190
|
//http://gun.teipir.gr/VRML-amgem/spec/part1/examples.html
|
|
133549
134191
|
//Save the VRML file for 3D color printing.
|
|
133550
|
-
saveVrmlFile( mat ){ let ic = this.icn3d
|
|
134192
|
+
saveVrmlFile( mat ){ let ic = this.icn3d, me = ic.icn3dui;
|
|
133551
134193
|
if(Object.keys(ic.dAtoms).length > 50000) {
|
|
133552
134194
|
var aaa = 1; //alert('Please display a subset of the structure to export 3D files. Then merge the files for 3D printing...');
|
|
133553
134195
|
return [''];
|
|
@@ -133578,7 +134220,7 @@ class Export3D {
|
|
|
133578
134220
|
if(mat1 === undefined) continue;
|
|
133579
134221
|
|
|
133580
134222
|
// skip itself
|
|
133581
|
-
if(
|
|
134223
|
+
if(me.utilsCls.compMatrix(mat1, identity, 16)) continue;
|
|
133582
134224
|
|
|
133583
134225
|
result = this.processVrmlMeshGroup( ic.mdl, vrmlStrArray, vertexCnt, mat1 );
|
|
133584
134226
|
vrmlStrArray = result.vrmlStrArray;
|
|
@@ -134228,6 +134870,9 @@ class Picking {
|
|
|
134228
134870
|
this.showPickingBase(atom, x, y);
|
|
134229
134871
|
|
|
134230
134872
|
if(ic.pk != 0) {
|
|
134873
|
+
let resid = atom.structure + '_' + atom.chain + '_' + atom.resi;
|
|
134874
|
+
let ncbiresid = (ic.resid2ncbi[resid]) ? ic.resid2ncbi[resid] : resid;
|
|
134875
|
+
|
|
134231
134876
|
if(x !== undefined && y !== undefined) { // mouse over
|
|
134232
134877
|
if(me.cfg.showmenu != undefined && me.cfg.showmenu == true) {
|
|
134233
134878
|
y += me.htmlCls.MENU_HEIGHT;
|
|
@@ -134254,6 +134899,8 @@ class Picking {
|
|
|
134254
134899
|
|
|
134255
134900
|
$("#" + ic.pre + "popup").html(text);
|
|
134256
134901
|
$("#" + ic.pre + "popup").css("top", y).css("left", x+20).show();
|
|
134902
|
+
|
|
134903
|
+
$(document).trigger('icn3d.pick.mouseover', ncbiresid);
|
|
134257
134904
|
}
|
|
134258
134905
|
else {
|
|
134259
134906
|
// highlight the sequence background
|
|
@@ -134266,6 +134913,8 @@ class Picking {
|
|
|
134266
134913
|
// update the interaction flag
|
|
134267
134914
|
ic.bSphereCalc = false;
|
|
134268
134915
|
ic.bHbondCalc = false;
|
|
134916
|
+
|
|
134917
|
+
$(document).trigger('icn3d.pick.click', ncbiresid);
|
|
134269
134918
|
}
|
|
134270
134919
|
}
|
|
134271
134920
|
}
|
|
@@ -135762,7 +136411,7 @@ class iCn3DUI {
|
|
|
135762
136411
|
//even when multiple iCn3D viewers are shown together.
|
|
135763
136412
|
this.pre = this.cfg.divid + "_";
|
|
135764
136413
|
|
|
135765
|
-
this.REVISION = '3.
|
|
136414
|
+
this.REVISION = '3.50.0';
|
|
135766
136415
|
|
|
135767
136416
|
// In nodejs, iCn3D defines "window = {navigator: {}}", and added window = {navigator: {}, "__THREE__":"177"}
|
|
135768
136417
|
this.bNode = (Object.keys(window).length < 3) ? true : false;
|