icn3d 3.28.6 → 3.28.7

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package/icn3d.module.js CHANGED
@@ -9428,8 +9428,8 @@ class SetMenu {
9428
9428
  //html += this.getMenuText('mn1_fold', 'AlphaFold/ESM', undefined, undefined, 1);
9429
9429
  html += this.getMenuText('mn1_fold', 'Predict by Seq.', undefined, undefined, 1);
9430
9430
  html += "<ul>";
9431
- //html += this.getLink('mn1_esmfold', 'ESMFold', undefined, 2);
9432
- html += this.getMenuUrl('mn1_esmfold_link', "https://colab.research.google.com/github/sokrypton/ColabFold/blob/main/ESMFold.ipynb", "ESMFold via ColabFold" + me.htmlCls.wifiStr, undefined, 2);
9431
+ html += this.getLink('mn1_esmfold', 'ESMFold', undefined, 2);
9432
+ //html += this.getMenuUrl('mn1_esmfold_link', "https://colab.research.google.com/github/sokrypton/ColabFold/blob/main/ESMFold.ipynb", "ESMFold via ColabFold" + me.htmlCls.wifiStr, undefined, 2);
9433
9433
  html += this.getLink('mn1_alphafold', 'AlphaFold2 via ColabFold' + me.htmlCls.wifiStr, undefined, 2);
9434
9434
  html += "</ul>";
9435
9435
 
@@ -16122,7 +16122,7 @@ class SetHtml {
16122
16122
  html += "</ul>";
16123
16123
 
16124
16124
  html += me.htmlCls.divStr + name1 + "tab1'>";
16125
- if(type == 'delphi') html += this.addGsizeSalt(name1) + "<br>";
16125
+ if(type == 'delphi') html += this.addGsizeSalt(name1 + "1") + "<br>";
16126
16126
 
16127
16127
  html += "<span style='white-space:nowrap;font-weight:bold;'>Potential contour at: <select id='" + me.pre + name1 + "contour'>";
16128
16128
 
@@ -16187,7 +16187,7 @@ class SetHtml {
16187
16187
  html += "</div>";
16188
16188
 
16189
16189
  html += me.htmlCls.divStr + name1 + "tab2'>";
16190
- if(type == 'delphi') html += this.addGsizeSalt(name1) + "<br>";
16190
+ if(type == 'delphi') html += this.addGsizeSalt(name1 + "2") + "<br>";
16191
16191
 
16192
16192
  html += "<span style='white-space:nowrap;font-weight:bold;'>Surface with max potential at: <select id='" + me.pre + name1 + "contour2'>";
16193
16193
 
@@ -46204,7 +46204,7 @@ class LineGraph {
46204
46204
  let thisClass = this;
46205
46205
 
46206
46206
  // round 1, 16 templates
46207
- ic.refpdbArray = ['1InsulinR_8guyE_human_FN3-n1', '1Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4', '1CoAtomerGamma1_1r4xA_human', '1C3_2qkiD_human_n1', '1CuZnSuperoxideDismutase_1hl5C_human', '1ASF1A_2iijA_human', '1FAB-LIGHT_5esv_C1-n2', '1CD2_1hnfA_human_C2-n2', '1NaCaExchanger_2fwuA_dog_n2', '1FAB-HEAVY_5esv_V-n1', '1PDL1_4z18B_human_V-n1', '1BTLA_2aw2A_human_Iset', '1LaminAC_1ifrA_human', '1IsdA_2iteA_bacteria', '1TCRa_6jxrm_human_C1-n2', '1CD19_6al5A_human_C2orV-n1'];
46207
+ ic.refpdbArray = ['1InsulinR_8guyE_human_FN3-n1', '1Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4', '1CoAtomerGamma1_1r4xA_human', '1C3_2qkiD_human_n1', '1CuZnSuperoxideDismutase_1hl5C_human', '1ASF1A_2iijA_human', '1FAB-LIGHT_5esv_C1-n2', '1CD2_1hnfA_human_C2-n2', '1NaCaExchanger_2fwuA_dog_n2', '1FAB-HEAVY_5esv_V-n1', '1PDL1_4z18B_human_V-n1', '1BTLA_2aw2A_human_Iset', '1LaminAC_1ifrA_human', '1IsdA_2iteA_bacteria', '1TCRa_6jxrm_human_C1-n2', '1CD19_6al5A_human_C2orV-n1', '1CD28_1yjdC_human_V'];
46208
46208
 
46209
46209
  // round 2
46210
46210
  ic.refpdbHash = {};
@@ -46223,52 +46223,55 @@ class LineGraph {
46223
46223
  ic.refpdbHash['1LaminAC_1ifrA_human'] = ['LaminAC_1ifrA_human'];
46224
46224
  ic.refpdbHash['1IsdA_2iteA_bacteria'] = ['IsdA_2iteA_bacteria'];
46225
46225
  ic.refpdbHash['1TCRa_6jxrm_human_C1-n2'] = ['TCRa_6jxrm_human_C1-n2'];
46226
- ic.refpdbHash['1CD19_6al5A_human_C2orV-n1'] = ['CD19_6al5A_human_C2orV-n1'];
46226
+ ic.refpdbHash['1CD19_6al5A_human_C2orV-n1'] = ['CD19_6al5A_human_C2orV-n1'];
46227
+ ic.refpdbHash['1CD28_1yjdC_human_V'] = ['CD28_1yjdC_human_V'];
46227
46228
 
46228
46229
  // use known ref structure
46229
- ic.refpdbHash['5ESV'] = ['FAB-HEAVY_5esv_V-n1', 'FAB-LIGHT_5esv_V-n1', 'FAB-HEAVY_5esv_C1-n2', 'FAB-LIGHT_5esv_C1-n2'];
46230
- ic.refpdbHash['8GUY'] = ['InsulinR_8guyE_human_FN3-n1', 'InsulinR_8guyE_human_FN3-n2'];
46231
- ic.refpdbHash['6JXR'] = ['TCRa_6jxrm_human_V-n1', 'TCRa_6jxrm_human_C1-n2'];
46232
- ic.refpdbHash['1HNF'] = ['CD2_1hnfA_human_V-n1', 'CD2_1hnfA_human_C2-n2'];
46233
- ic.refpdbHash['7TZG'] = ['LAG3_7tzgD_human_V-n1', 'LAG3_7tzgD_human_C2-n2'];
46234
- ic.refpdbHash['6PY8'] = ['RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2'];
46235
- ic.refpdbHash['1BQU'] = ['IL6Rb_1bquB_human_FN3-n2', 'IL6Rb_1bquB_human_FN3-n3'];
46236
-
46237
- ic.refpdbHash['1R4X'] = ['CoAtomerGamma1_1r4xA_human'];
46238
- ic.refpdbHash['6OIL'] = ['VISTA_6oilA_human_V'];
46239
- ic.refpdbHash['2ZXE'] = ['NaKATPaseTransporterBeta_2zxeB_spurdogshark'];
46240
- ic.refpdbHash['1I8A'] = ['Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'];
46241
- ic.refpdbHash['2FWU'] = ['NaCaExchanger_2fwuA_dog_n2'];
46242
- ic.refpdbHash['4JQI'] = ['BArrestin1_4jqiA_rat_n1'];
46243
- ic.refpdbHash['1NBQ'] = ['JAM1_1nbqA_human_VorIset-n2'];
46244
- ic.refpdbHash['1O75'] = ['TP47_1o75A_bacteria'];
46245
- ic.refpdbHash['7PHR'] = ['MHCIa_7phrH_human_C1'];
46246
- ic.refpdbHash['2IIJ'] = ['ASF1A_2iijA_human'];
46247
- ic.refpdbHash['4Z18'] = ['PDL1_4z18B_human_V-n1'];
46248
- ic.refpdbHash['1T6V'] = ['VNAR_1t6vN_shark_V'];
46249
- ic.refpdbHash['2O6C'] = ['TP34_2o6cA_bacteria'];
46250
- ic.refpdbHash['3KYS'] = ['TEAD1_3kysC_human'];
46251
- ic.refpdbHash['7PHR'] = ['B2Microglobulin_7phrL_human_C1'];
46252
- ic.refpdbHash['2AW2'] = ['BTLA_2aw2A_human_Iset'];
46253
- ic.refpdbHash['1HL5'] = ['CuZnSuperoxideDismutase_1hl5C_human'];
46254
- ic.refpdbHash['1WF5'] = ['Sidekick2_1wf5A_human_FN3-n7'];
46255
- ic.refpdbHash['5J0B'] = ['Siglec3_5j0bB_human_C2-n2'];
46256
- ic.refpdbHash['1IFR'] = ['LaminAC_1ifrA_human'];
46257
- ic.refpdbHash['Q7Z7D3'] = ['VTCN1_Q7Z7D3_human_V-n2'];
46258
- ic.refpdbHash['4ZQK'] = ['PD1_4zqkB_human_V'];
46259
- ic.refpdbHash['2DM3'] = ['Palladin_2dm3A_human_Iset-n1'];
46260
- ic.refpdbHash['2ITE'] = ['IsdA_2iteA_bacteria'];
46261
- ic.refpdbHash['1XAK'] = ['ORF7a_1xakA_virus'];
46262
- ic.refpdbHash['4ZT1'] = ['ECadherin_4zt1A_human_n2'];
46263
- ic.refpdbHash['1LMI'] = ['MPT63_1lmiA_bacteria'];
46264
- ic.refpdbHash['1CD8'] = ['CD8a_1cd8A_human_V'];
46265
- ic.refpdbHash['3S97'] = ['Contactin1_3s97C_human_C2-n2'];
46266
- ic.refpdbHash['1AXI'] = ['GHR_1axiB_human_FN3-n1'];
46267
- ic.refpdbHash['6X4G'] = ['ICOS_6x4gA_human_V'];
46268
- ic.refpdbHash['2EE2'] = ['Contactin1_2ee2A_human_FN3-n9'];
46269
- ic.refpdbHash['4UOW'] = ['Titin_4uowM_human_Unk-n152'];
46270
- ic.refpdbHash['6A15'] = ['CD19_6al5A_human_C2orV-n1'];
46271
- ic.refpdbHash['2QKI'] = ['C3_2qkiD_human_n1'];
46230
+ ic.refpdbHash['5ESV_C'] = ['FAB-HEAVY_5esv_V-n1', 'FAB-HEAVY_5esv_C1-n2'];
46231
+ ic.refpdbHash['5ESV_D'] = ['FAB-LIGHT_5esv_V-n1', 'FAB-LIGHT_5esv_C1-n2'];
46232
+ ic.refpdbHash['8GUY_E'] = ['InsulinR_8guyE_human_FN3-n1', 'InsulinR_8guyE_human_FN3-n2'];
46233
+ ic.refpdbHash['6JXR_m'] = ['TCRa_6jxrm_human_V-n1', 'TCRa_6jxrm_human_C1-n2'];
46234
+ ic.refpdbHash['1HNF_A'] = ['CD2_1hnfA_human_V-n1', 'CD2_1hnfA_human_C2-n2'];
46235
+ ic.refpdbHash['7TZG_D'] = ['LAG3_7tzgD_human_V-n1', 'LAG3_7tzgD_human_C2-n2'];
46236
+ ic.refpdbHash['6PY8_C'] = ['RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2'];
46237
+ ic.refpdbHash['1BQU_B'] = ['IL6Rb_1bquB_human_FN3-n2', 'IL6Rb_1bquB_human_FN3-n3'];
46238
+
46239
+ ic.refpdbHash['1R4X_A'] = ['CoAtomerGamma1_1r4xA_human'];
46240
+ ic.refpdbHash['6OIL_A'] = ['VISTA_6oilA_human_V'];
46241
+ ic.refpdbHash['2ZXE_B'] = ['NaKATPaseTransporterBeta_2zxeB_spurdogshark'];
46242
+ ic.refpdbHash['1I8A_A'] = ['Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'];
46243
+ ic.refpdbHash['2FWU_A'] = ['NaCaExchanger_2fwuA_dog_n2'];
46244
+ ic.refpdbHash['4JQI_A'] = ['BArrestin1_4jqiA_rat_n1'];
46245
+ ic.refpdbHash['1NBQ_A'] = ['JAM1_1nbqA_human_VorIset-n2'];
46246
+ ic.refpdbHash['1O75_A'] = ['TP47_1o75A_bacteria'];
46247
+ ic.refpdbHash['7PHR_H'] = ['MHCIa_7phrH_human_C1'];
46248
+ ic.refpdbHash['2IIJ_A'] = ['ASF1A_2iijA_human'];
46249
+ ic.refpdbHash['4Z18_B'] = ['PDL1_4z18B_human_V-n1'];
46250
+ ic.refpdbHash['1T6V_N'] = ['VNAR_1t6vN_shark_V'];
46251
+ ic.refpdbHash['2O6C_A'] = ['TP34_2o6cA_bacteria'];
46252
+ ic.refpdbHash['3KYS_C'] = ['TEAD1_3kysC_human'];
46253
+ ic.refpdbHash['7PHR_L'] = ['B2Microglobulin_7phrL_human_C1'];
46254
+ ic.refpdbHash['2AW2_A'] = ['BTLA_2aw2A_human_Iset'];
46255
+ ic.refpdbHash['1HL5_C'] = ['CuZnSuperoxideDismutase_1hl5C_human'];
46256
+ ic.refpdbHash['1WF5_A'] = ['Sidekick2_1wf5A_human_FN3-n7'];
46257
+ ic.refpdbHash['5J0B_B'] = ['Siglec3_5j0bB_human_C2-n2'];
46258
+ ic.refpdbHash['1IFR_A'] = ['LaminAC_1ifrA_human'];
46259
+ ic.refpdbHash['Q7Z7D3_A'] = ['VTCN1_Q7Z7D3_human_V-n2'];
46260
+ ic.refpdbHash['4ZQK_B'] = ['PD1_4zqkB_human_V'];
46261
+ ic.refpdbHash['2DM3_A'] = ['Palladin_2dm3A_human_Iset-n1'];
46262
+ ic.refpdbHash['2ITE_A'] = ['IsdA_2iteA_bacteria'];
46263
+ ic.refpdbHash['1XAK_A'] = ['ORF7a_1xakA_virus'];
46264
+ ic.refpdbHash['4ZT1_A'] = ['ECadherin_4zt1A_human_n2'];
46265
+ ic.refpdbHash['1LMI_A'] = ['MPT63_1lmiA_bacteria'];
46266
+ ic.refpdbHash['1CD8_A'] = ['CD8a_1cd8A_human_V'];
46267
+ ic.refpdbHash['3S97_C'] = ['Contactin1_3s97C_human_C2-n2'];
46268
+ ic.refpdbHash['1AXI_B'] = ['GHR_1axiB_human_FN3-n1'];
46269
+ ic.refpdbHash['6X4G_A'] = ['ICOS_6x4gA_human_V'];
46270
+ ic.refpdbHash['2EE2_A'] = ['Contactin1_2ee2A_human_FN3-n9'];
46271
+ ic.refpdbHash['4UOW_M'] = ['Titin_4uowM_human_Unk-n152'];
46272
+ ic.refpdbHash['6A15_A'] = ['CD19_6al5A_human_C2orV-n1'];
46273
+ ic.refpdbHash['2QKI_D'] = ['C3_2qkiD_human_n1'];
46274
+ ic.refpdbHash['1YJD_C'] = ['CD28_1yjdC_human_V'];
46272
46275
 
46273
46276
  let pdbAjaxArray = [];
46274
46277
  for(let k = 0, kl = ic.refpdbArray.length; k < kl; ++k) {
@@ -46562,11 +46565,14 @@ class LineGraph {
46562
46565
  //if(!(bBstrand && bCstrand && bEstrand && bFstrand && bGstrand)) continue;
46563
46566
  if(!(bBstrand && bCstrand && bEstrand && bFstrand)) {
46564
46567
  if(!me.bNode) console.log("Some of the Ig strands B, C, E, F are missing in the domain " + domainid + "...");
46568
+ if(ic.domainid2refpdbname[domainid]) delete ic.domainid2refpdbname[domainid];
46565
46569
  continue;
46566
46570
  }
46567
46571
  }
46568
46572
 
46569
46573
  if(!bRound1) {
46574
+ console.log("domainid: " + domainid);
46575
+
46570
46576
  if(!domainid2score.hasOwnProperty(domainid) || queryData[0].score > domainid2score[domainid]) {
46571
46577
  domainid2score[domainid] = queryData[0].score;
46572
46578
 
@@ -46598,11 +46604,14 @@ class LineGraph {
46598
46604
  for(let domainid in ic.domainid2refpdbname) {
46599
46605
  let pdbAjaxArray = [];
46600
46606
  let refpdbname = ic.domainid2refpdbname[domainid];
46601
- let pdbid = domainid.substr(0, domainid.indexOf('_'));
46607
+ //let pdbid = domainid.substr(0, domainid.indexOf('_'));
46608
+ let chainid = domainid.substr(0, domainid.indexOf('-'));
46602
46609
 
46603
- if(ic.refpdbHash.hasOwnProperty(pdbid)) {
46610
+ //if(ic.refpdbHash.hasOwnProperty(pdbid)) {
46611
+ if(ic.refpdbHash.hasOwnProperty(chainid)) {
46604
46612
  // use itself as the ref structure
46605
- refpdbname = pdbid;
46613
+ //refpdbname = pdbid;
46614
+ refpdbname = chainid;
46606
46615
 
46607
46616
  if(!me.bNode) console.log("Adjusted refpdbname for domainid " + domainid + ": " + refpdbname);
46608
46617
  }
@@ -46644,11 +46653,11 @@ class LineGraph {
46644
46653
  dataArray3 = await allPromise;
46645
46654
 
46646
46655
  await thisClass.parseAlignData(dataArray3, domainidpairArray3);
46647
-
46656
+
46648
46657
  // end of round 2
46649
46658
  return;
46650
46659
  }
46651
-
46660
+
46652
46661
  // combine domainid into chainid
46653
46662
  let processedChainid = {};
46654
46663
  for(let domainid in ic.domainid2refpdbname) {
@@ -46755,17 +46764,18 @@ class LineGraph {
46755
46764
 
46756
46765
  // A-: 10xx
46757
46766
  // A: 11xx
46767
+ // A+ continue A
46758
46768
  // A': 12xx
46759
- // A+: 13xx
46760
46769
  // B: 21xx
46761
46770
  // C: 32xx
46762
46771
  // C': 42xx
46763
46772
  // C'': 51xx, 52xx
46764
46773
  // D: 61xx
46765
46774
  // E: 71xx
46775
+ // E+: continue E
46766
46776
  // F: 82xx
46767
46777
  // G: 91xx, 92xx
46768
- // G+: 94xx
46778
+ // G+: continue G
46769
46779
 
46770
46780
  // if(refnum < 100) return " " + oriRefnum;
46771
46781
  // else if(refnum >= 100 && refnum < 1000) {
@@ -46775,11 +46785,10 @@ class LineGraph {
46775
46785
  if(refnum < 900) return undefined;
46776
46786
  else if(refnum >= 900 && refnum < 1000) return " " + oriRefnum;
46777
46787
  else if(refnum >= 1000 && refnum < 1100) return "A-" + oriRefnum;
46778
- else if(refnum >= 1100 && refnum < 1200) return "A" + oriRefnum;
46788
+ else if(refnum >= 1100 && refnum < 1200) return "A" + oriRefnum; // could be A+
46779
46789
  else if(refnum >= 1200 && refnum < 1300) return "A'" + oriRefnum;
46780
- //else if(refnum >= 1300 && refnum < 1400) return "A*" + oriRefnum;
46781
- else if(refnum >= 1300 && refnum < 1400) return "A+" + oriRefnum;
46782
- else if(refnum >= 1400 && refnum < 2000) {
46790
+ //else if(refnum >= 1300 && refnum < 1400) return "A+" + oriRefnum;
46791
+ else if(refnum >= 1300 && refnum < 2000) {
46783
46792
  if(prevStrand && prevStrand.substr(0, 1) == 'A') {
46784
46793
  return prevStrand + oriRefnum;
46785
46794
  }
@@ -46792,12 +46801,11 @@ class LineGraph {
46792
46801
  else if(refnum >= 4000 && refnum < 5000) return "C'" + oriRefnum;
46793
46802
  else if(refnum >= 5000 && refnum < 6000) return "C''" + oriRefnum;
46794
46803
  else if(refnum >= 6000 && refnum < 7000) return "D" + oriRefnum;
46795
- else if(refnum >= 7000 && refnum < 8000) return "E" + oriRefnum;
46804
+ else if(refnum >= 7000 && refnum < 8000) return "E" + oriRefnum; // could be E+
46796
46805
  else if(refnum >= 8000 && refnum < 9000) return "F" + oriRefnum;
46797
- else if(refnum >= 9000 && refnum < 9400) return "G" + oriRefnum;
46798
- //else if(refnum >= 9400 && refnum < 9500) return "G*" + oriRefnum;
46799
- else if(refnum >= 9400 && refnum < 9500) return "G+" + oriRefnum;
46800
- else if(refnum >= 9500) return "G" + oriRefnum;
46806
+ else if(refnum >= 9000 && refnum < 9300) return "G" + oriRefnum; // could be G+
46807
+ //else if(refnum >= 9400 && refnum < 9500) return "G+" + oriRefnum;
46808
+ else if(refnum >= 9300) return "G" + oriRefnum;
46801
46809
  }
46802
46810
 
46803
46811
  async parseCustomRefFile(data) { let ic = this.icn3d; ic.icn3dui;
@@ -50711,7 +50719,12 @@ class ChainalignParser {
50711
50719
  targetAjax = me.getAjaxPromise(url_t, 'text');
50712
50720
  }
50713
50721
  else {
50714
- url_t = me.htmlCls.baseUrl + "mmdb/mmdb_strview.cgi?v=2&program=icn3d&b=1&s=1&ft=1&bu=" + me.cfg.bu + "&uid=" + structure;
50722
+ let structureTmp = structure;
50723
+ if(structure.length == 5) {
50724
+ structureTmp = structure.substr(0,4);
50725
+ }
50726
+
50727
+ url_t = me.htmlCls.baseUrl + "mmdb/mmdb_strview.cgi?v=2&program=icn3d&b=1&s=1&ft=1&bu=" + me.cfg.bu + "&uid=" + structureTmp;
50715
50728
  if(me.cfg.inpara !== undefined) url_t += me.cfg.inpara;
50716
50729
 
50717
50730
  targetAjax = me.getAjaxPromise(url_t, 'jsonp');
@@ -50788,7 +50801,8 @@ class ChainalignParser {
50788
50801
  }
50789
50802
  else {
50790
50803
  let bNoSeqalign = true;
50791
- hAtomsTmp = await ic.mmdbParserCls.parseMmdbData(queryDataArray[i], targetOrQuery, undefined, undefined, bLastQuery, bNoSeqalign);
50804
+ let pdbid = structArray[i];
50805
+ hAtomsTmp = await ic.mmdbParserCls.parseMmdbData(queryDataArray[i], targetOrQuery, undefined, undefined, bLastQuery, bNoSeqalign, pdbid);
50792
50806
  }
50793
50807
 
50794
50808
  hAtoms = me.hashUtilsCls.unionHash(hAtoms, hAtomsTmp);
@@ -51450,9 +51464,10 @@ class MmdbParser {
51450
51464
  }
51451
51465
  }
51452
51466
 
51453
- async parseMmdbData(data, type, chainid, chainIndex, bLastQuery, bNoTransformNoSeqalign) { let ic = this.icn3d, me = ic.icn3dui;
51467
+ async parseMmdbData(data, type, chainid, chainIndex, bLastQuery, bNoTransformNoSeqalign, pdbidIn) { let ic = this.icn3d, me = ic.icn3dui;
51454
51468
  let hAtoms;
51455
- let pdbid =(data.pdbId !== undefined) ? data.pdbId : data.mmdbId;
51469
+ let pdbid = (data.pdbId !== undefined) ? data.pdbId : data.mmdbId;
51470
+ if(pdbidIn) pdbid = pdbidIn;
51456
51471
 
51457
51472
  this.parseMmdbDataPart1(data, type);
51458
51473
 
@@ -65022,8 +65037,11 @@ class Delphi {
65022
65037
  let salt = saltArray[1]; //parseFloat(saltArray[1]);
65023
65038
 
65024
65039
  // The values should be string
65025
- $("#" + ic.pre + "delphigsize").val(gsize);
65026
- $("#" + ic.pre + "delphisalt").val(salt);
65040
+ $("#" + ic.pre + "delphi1gsize").val(gsize);
65041
+ $("#" + ic.pre + "delphi1salt").val(salt);
65042
+
65043
+ $("#" + ic.pre + "delphi2gsize").val(gsize);
65044
+ $("#" + ic.pre + "delphi2salt").val(salt);
65027
65045
 
65028
65046
  if(paraArray.length == 7) {
65029
65047
  let surfaceArray = paraArray[4].split(" ");
@@ -65048,11 +65066,11 @@ class Delphi {
65048
65066
  }
65049
65067
 
65050
65068
  async loadDelphiFile(type) { let ic = this.icn3d, me = ic.icn3dui;
65051
- let gsize = $("#" + ic.pre + "delphigsize").val();
65052
- let salt = $("#" + ic.pre + "delphisalt").val();
65053
- let contour =(type == 'delphi2') ? $("#" + ic.pre + "delphicontour2").val() : $("#" + ic.pre + "delphicontour").val();
65069
+ let gsize = (type == 'delphi2') ? $("#" + ic.pre + "delphi2gsize").val() : $("#" + ic.pre + "delphi1gsize").val();
65070
+ let salt = (type == 'delphi2') ? $("#" + ic.pre + "delphi2salt").val() : $("#" + ic.pre + "delphi1gsize").val();
65071
+ let contour = (type == 'delphi2') ? $("#" + ic.pre + "delphicontour2").val() : $("#" + ic.pre + "delphicontour").val();
65054
65072
 
65055
- let bSurface =(type == 'delphi2') ? true: false;
65073
+ let bSurface = (type == 'delphi2') ? true: false;
65056
65074
 
65057
65075
  await this.CalcPhi(gsize, salt, contour, bSurface);
65058
65076
 
@@ -68780,7 +68798,7 @@ class ResizeCanvas {
68780
68798
 
68781
68799
  ic.applyCenterCls.setWidthHeight(width, heightTmp);
68782
68800
 
68783
- if(bDraw === undefined || bDraw) {
68801
+ if(ic.structures && Object.keys(ic.structures).length > 0 && (bDraw === undefined || bDraw)) {
68784
68802
  ic.drawCls.draw();
68785
68803
  }
68786
68804
  }
@@ -73658,17 +73676,17 @@ iCn3DUI.prototype.show3DStructure = async function(pdbStr) { let me = this;
73658
73676
  chainidArray.push(domainidArray[i]);
73659
73677
  }
73660
73678
  }
73661
-
73662
- let mmdbafid = '';
73663
- for(let i = 0, il = chainidArray.length; i < il; ++i) {
73664
- if(i > 0) mmdbafid += ',';
73665
- mmdbafid += chainidArray[i].substr(0, chainidArray[i].indexOf('_'));
73666
- }
73667
73679
 
73668
73680
  // realign
73669
73681
  ic.chainidArray = [chain_t].concat(chainidArray);
73670
73682
  ic.chainidArray = ic.chainalignParserCls.addPostfixForChainids(ic.chainidArray);
73671
73683
 
73684
+ let mmdbafid = '';
73685
+ for(let i = 0, il = ic.chainidArray.length; i < il; ++i) {
73686
+ if(i > 0) mmdbafid += ',';
73687
+ mmdbafid += ic.chainidArray[i].substr(0, ic.chainidArray[i].indexOf('_'));
73688
+ }
73689
+
73672
73690
  me.htmlCls.clickMenuCls.setLogCmd('resdef ' + me.cfg.resdef, true);
73673
73691
 
73674
73692
  ic.loadCmd = 'vast_search_chainid ' + ic.chainidArray;
package/package.json CHANGED
@@ -1,6 +1,6 @@
1
1
  {
2
2
  "name": "icn3d",
3
- "version": "3.28.6",
3
+ "version": "3.28.7",
4
4
  "main": "./icn3d.js",
5
5
  "exports": {
6
6
  ".": {