icn3d 3.31.7 → 3.31.8

package/icn3d.module.js

@@ -41834,6 +41834,7 @@ class AnnoIg {
         ic.chain2igArray[chnid] = [];
         this.setChain2igArray(chnid, giSeq, bCustom);
 
+
         // remove Igs without BCEF strands one more time
         let igArray = ic.chain2igArray[chnid];    
 
@@ -41906,6 +41907,7 @@ class AnnoIg {
             }
         }
 
+
         // reset ic.chain2igArray
         ic.chain2igArray[chnid] = [];
         this.setChain2igArray(chnid, giSeq, bCustom);
@@ -45323,7 +45325,8 @@ class AddTrack {
     }
 
     getExonHtml(exonIndex, colorGradient, from, to, genomeRange, chainid, simpTitle) { let ic = this.icn3d; ic.icn3dui;
-        return '<div style="display:inline-block; color:white!important; width:' + Math.round(ic.seqAnnWidth *(to - from + 1) /(ic.maxAnnoLength + ic.nTotalGap)) + 'px;" class="icn3d-seqTitle icn3d-link icn3d-blue" domain="' + (exonIndex + 1) + '" from="' + from + '" to="' + to + '" setname="' + simpTitle + ', Exon ' + (exonIndex + 1) + '" title="Exon ' + (exonIndex + 1) + ': ' + genomeRange + ' genomic interval" anno="sequence" chain="' + chainid + '"><div style="height: 12px; border: 1px solid #000; background: linear-gradient(to right, ' + colorGradient + ');"></div></div>';
+        // return '<div style="display:inline-block; color:white!important; width:' + Math.round(ic.seqAnnWidth *(to - from + 1) /(ic.maxAnnoLength + ic.nTotalGap)) + 'px;" class="icn3d-seqTitle icn3d-link icn3d-blue" domain="' + (exonIndex + 1) + '" from="' + from + '" to="' + to + '" setname="' + simpTitle + ', Exon ' + (exonIndex + 1) + '" title="Exon ' + (exonIndex + 1) + ': ' + genomeRange + ' genomic interval" anno="sequence" chain="' + chainid + '"><div style="height: 12px; border: 1px solid #000; background: linear-gradient(to right, ' + colorGradient + ');"></div></div>';
+        return '<div style="display:inline-block; color:white!important; width:' + Math.round(ic.seqAnnWidth *(to - from + 1) /(ic.maxAnnoLength + ic.nTotalGap)) + 'px;" class="icn3d-seqTitle icn3d-link icn3d-blue" domain="' + (exonIndex + 1) + '" from="' + from + '" to="' + to + '" setname="' + simpTitle + ', #' + (exonIndex + 1) + '" title="Exon: ' + genomeRange + ' genomic interval" anno="sequence" chain="' + chainid + '"><div style="height: 12px; border: 1px solid #000; background: linear-gradient(to right, ' + colorGradient + ');"></div></div>';
     }
 
     getExonColor(start, end, pos) { let ic = this.icn3d; ic.icn3dui;
@@ -52530,7 +52533,7 @@ class ContactMap {
                 let color2 = rHex + gHex + bHex;
 
                 if(bLink) linkStr += ', ';
-                linkStr += '{"source": "' + idStr + postA + '", "target": "' + idStr2 + postB + '", "v": 11, "c": "' + color2 + '"}\n';
+                linkStr += '{"source": "' + idStr + postA + '", "target": "' + idStr2 + postB + '", "v": 11, "c": "' + color2 + '", "pae": ' + parseInt(distMatrix[i][j]) + '}\n';
                 bLink = true;
             }
         }
@@ -56149,10 +56152,12 @@ class BcifParser {
             let conf_type_idArray = struct_conf.getColumn("conf_type_id");
 
             let chain1Array = struct_conf.getColumn("beg_auth_asym_id");
-            let resi1Array = struct_conf.getColumn("beg_label_seq_id");
+            // let resi1Array = struct_conf.getColumn("beg_label_seq_id");
+            let resi1Array = struct_conf.getColumn("beg_auth_seq_id");
 
             let chain2Array = struct_conf.getColumn("end_auth_asym_id");
-            let resi2Array = struct_conf.getColumn("end_label_seq_id");
+            // let resi2Array = struct_conf.getColumn("end_label_seq_id");
+            let resi2Array = struct_conf.getColumn("end_auth_seq_id");
 
             // Iterate through every row in the struct_conf category table, where each row delineates an interatomic connection
             let confSize = struct_conf.rowCount;
@@ -56197,10 +56202,12 @@ class BcifParser {
             let struct_sheet_range = block.getCategory("_struct_sheet_range");
 
             let chain1Array = struct_sheet_range.getColumn("beg_auth_asym_id");
-            let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id");
+            // let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id");
+            let resi1Array = struct_sheet_range.getColumn("beg_auth_seq_id");
 
             let chain2Array = struct_sheet_range.getColumn("end_auth_asym_id");
-            let resi2Array = struct_sheet_range.getColumn("end_label_seq_id");
+            // let resi2Array = struct_sheet_range.getColumn("end_label_seq_id");
+            let resi2Array = struct_sheet_range.getColumn("end_auth_seq_id");
 
             // Iterate through every row in the struct_sheet_range category table, where each row delineates an interatomic connection
             let sheetSize = struct_sheet_range.rowCount;
@@ -59705,9 +59712,13 @@ class ParserUtils {
 
         for(let i = 0, il = ic.realignResid[chainid_t].length; i < il && i < ic.realignResid[chainid_q].length; ++i) {
             let resid_t = ic.realignResid[chainid_t][i].resid;
+            if(!resid_t) continue;
+
             let pos_t = resid_t.lastIndexOf('_');
             let resi_t = parseInt(resid_t.substr(pos_t + 1));
             let resid_q = ic.realignResid[chainid_q][i].resid;
+            if(!resid_q) continue;
+
             let pos_q = resid_q.lastIndexOf('_');
             let resi_q = parseInt(resid_q.substr(pos_q + 1));
 
@@ -63720,10 +63731,12 @@ class LoadCIF {
             let conf_type_idArray = struct_conf.getColumn("conf_type_id");
         
             let chain1Array = struct_conf.getColumn("beg_auth_asym_id");
-            let resi1Array = struct_conf.getColumn("beg_label_seq_id");
+            // let resi1Array = struct_conf.getColumn("beg_label_seq_id");
+            let resi1Array = struct_conf.getColumn("beg_auth_seq_id");
         
             struct_conf.getColumn("end_auth_asym_id");
-            let resi2Array = struct_conf.getColumn("end_label_seq_id");
+            // let resi2Array = struct_conf.getColumn("end_label_seq_id");
+            let resi2Array = struct_conf.getColumn("end_auth_seq_id");
         
             // Iterate through every row in the struct_conf category table, where each row delineates an interatomic connection
             let confSize = struct_conf.rowCount;
@@ -63762,10 +63775,12 @@ class LoadCIF {
             let struct_sheet_range = block.getCategory("_struct_sheet_range");
         
             let chain1Array = struct_sheet_range.getColumn("beg_auth_asym_id");
-            let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id");
+            // let resi1Array = struct_sheet_range.getColumn("beg_label_seq_id");
+            let resi1Array = struct_sheet_range.getColumn("beg_auth_seq_id");
         
             struct_sheet_range.getColumn("end_auth_asym_id");
-            let resi2Array = struct_sheet_range.getColumn("end_label_seq_id");
+            // let resi2Array = struct_sheet_range.getColumn("end_label_seq_id");
+            let resi2Array = struct_sheet_range.getColumn("end_auth_seq_id");
         
             // Iterate through every row in the struct_sheet_range category table, where each row delineates an interatomic connection
             let sheetSize = struct_sheet_range.rowCount;
@@ -63773,7 +63788,7 @@ class LoadCIF {
                 let startChain = chain1Array.getString(i);
                 let startResi = parseInt(resi1Array.getString(i));
                 let endResi = parseInt(resi2Array.getString(i));
-            
+
                 for(let j = startResi; j <= endResi; ++j) {
                     let resid = structure + "_" + startChain + "_" + j;
                     sheetArray.push(resid);
@@ -71804,12 +71819,13 @@ class Dssp {
                     // if(!(bBstrand && bCstrand && bEstrand && bFstrand)) {
                         if(!me.bNode && !(bBstrand && bCstrand && bEstrand && bFstrand)) console.log("Some of the Ig strands B, C, E, F are missing in the domain " + domainid + "...");
                         if(!me.bNode && !(bBSheet && bCSheet && bESheet && bFSheet)) console.log("Some of the Ig strands B, C, E, F are not beta sheets...");
-                        // if(!me.bNode && (BCnt < 3 || CCnt < 3 || ECnt < 3 || FCnt < 3)) console.log("Some of the Ig strands B, C, E, F are missing in the domain " + domainid + "...");
+
                         if(ic.domainid2refpdbname[domainid][0] == refpdbname) {
                             delete ic.domainid2refpdbname[domainid];
                             delete ic.domainid2score[domainid];
                         }
-                        continue;                     }
+                        continue;  
+                  }
                 // }
 
             }
@@ -81210,7 +81226,7 @@ class iCn3DUI {
     //even when multiple iCn3D viewers are shown together.
     this.pre = this.cfg.divid + "_";
 
-    this.REVISION = '3.31.1';
+    this.REVISION = '3.31.2';
 
     // In nodejs, iCn3D defines "window = {navigator: {}}"
     this.bNode = (Object.keys(window).length < 2) ? true : false;

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "icn3d",
-  "version": "3.31.7",
+  "version": "3.31.8",
   "main": "./icn3d.js",
   "exports": {
     ".": {