icn3d 3.28.6 → 3.28.7

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package/icn3d.js CHANGED
@@ -8527,8 +8527,8 @@ class SetMenu {
8527
8527
  //html += this.getMenuText('mn1_fold', 'AlphaFold/ESM', undefined, undefined, 1);
8528
8528
  html += this.getMenuText('mn1_fold', 'Predict by Seq.', undefined, undefined, 1);
8529
8529
  html += "<ul>";
8530
- //html += this.getLink('mn1_esmfold', 'ESMFold', undefined, 2);
8531
- 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);
8530
+ html += this.getLink('mn1_esmfold', 'ESMFold', undefined, 2);
8531
+ //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);
8532
8532
  html += this.getLink('mn1_alphafold', 'AlphaFold2 via ColabFold' + me.htmlCls.wifiStr, undefined, 2);
8533
8533
  html += "</ul>";
8534
8534
 
@@ -15221,7 +15221,7 @@ class SetHtml {
15221
15221
  html += "</ul>";
15222
15222
 
15223
15223
  html += me.htmlCls.divStr + name1 + "tab1'>";
15224
- if(type == 'delphi') html += this.addGsizeSalt(name1) + "<br>";
15224
+ if(type == 'delphi') html += this.addGsizeSalt(name1 + "1") + "<br>";
15225
15225
 
15226
15226
  html += "<span style='white-space:nowrap;font-weight:bold;'>Potential contour at: <select id='" + me.pre + name1 + "contour'>";
15227
15227
 
@@ -15286,7 +15286,7 @@ class SetHtml {
15286
15286
  html += "</div>";
15287
15287
 
15288
15288
  html += me.htmlCls.divStr + name1 + "tab2'>";
15289
- if(type == 'delphi') html += this.addGsizeSalt(name1) + "<br>";
15289
+ if(type == 'delphi') html += this.addGsizeSalt(name1 + "2") + "<br>";
15290
15290
 
15291
15291
  html += "<span style='white-space:nowrap;font-weight:bold;'>Surface with max potential at: <select id='" + me.pre + name1 + "contour2'>";
15292
15292
 
@@ -45303,7 +45303,7 @@ class LineGraph {
45303
45303
  let thisClass = this;
45304
45304
 
45305
45305
  // round 1, 16 templates
45306
- 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'];
45306
+ 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'];
45307
45307
 
45308
45308
  // round 2
45309
45309
  ic.refpdbHash = {};
@@ -45322,52 +45322,55 @@ class LineGraph {
45322
45322
  ic.refpdbHash['1LaminAC_1ifrA_human'] = ['LaminAC_1ifrA_human'];
45323
45323
  ic.refpdbHash['1IsdA_2iteA_bacteria'] = ['IsdA_2iteA_bacteria'];
45324
45324
  ic.refpdbHash['1TCRa_6jxrm_human_C1-n2'] = ['TCRa_6jxrm_human_C1-n2'];
45325
- ic.refpdbHash['1CD19_6al5A_human_C2orV-n1'] = ['CD19_6al5A_human_C2orV-n1'];
45325
+ ic.refpdbHash['1CD19_6al5A_human_C2orV-n1'] = ['CD19_6al5A_human_C2orV-n1'];
45326
+ ic.refpdbHash['1CD28_1yjdC_human_V'] = ['CD28_1yjdC_human_V'];
45326
45327
 
45327
45328
  // use known ref structure
45328
- ic.refpdbHash['5ESV'] = ['FAB-HEAVY_5esv_V-n1', 'FAB-LIGHT_5esv_V-n1', 'FAB-HEAVY_5esv_C1-n2', 'FAB-LIGHT_5esv_C1-n2'];
45329
- ic.refpdbHash['8GUY'] = ['InsulinR_8guyE_human_FN3-n1', 'InsulinR_8guyE_human_FN3-n2'];
45330
- ic.refpdbHash['6JXR'] = ['TCRa_6jxrm_human_V-n1', 'TCRa_6jxrm_human_C1-n2'];
45331
- ic.refpdbHash['1HNF'] = ['CD2_1hnfA_human_V-n1', 'CD2_1hnfA_human_C2-n2'];
45332
- ic.refpdbHash['7TZG'] = ['LAG3_7tzgD_human_V-n1', 'LAG3_7tzgD_human_C2-n2'];
45333
- ic.refpdbHash['6PY8'] = ['RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2'];
45334
- ic.refpdbHash['1BQU'] = ['IL6Rb_1bquB_human_FN3-n2', 'IL6Rb_1bquB_human_FN3-n3'];
45335
-
45336
- ic.refpdbHash['1R4X'] = ['CoAtomerGamma1_1r4xA_human'];
45337
- ic.refpdbHash['6OIL'] = ['VISTA_6oilA_human_V'];
45338
- ic.refpdbHash['2ZXE'] = ['NaKATPaseTransporterBeta_2zxeB_spurdogshark'];
45339
- ic.refpdbHash['1I8A'] = ['Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'];
45340
- ic.refpdbHash['2FWU'] = ['NaCaExchanger_2fwuA_dog_n2'];
45341
- ic.refpdbHash['4JQI'] = ['BArrestin1_4jqiA_rat_n1'];
45342
- ic.refpdbHash['1NBQ'] = ['JAM1_1nbqA_human_VorIset-n2'];
45343
- ic.refpdbHash['1O75'] = ['TP47_1o75A_bacteria'];
45344
- ic.refpdbHash['7PHR'] = ['MHCIa_7phrH_human_C1'];
45345
- ic.refpdbHash['2IIJ'] = ['ASF1A_2iijA_human'];
45346
- ic.refpdbHash['4Z18'] = ['PDL1_4z18B_human_V-n1'];
45347
- ic.refpdbHash['1T6V'] = ['VNAR_1t6vN_shark_V'];
45348
- ic.refpdbHash['2O6C'] = ['TP34_2o6cA_bacteria'];
45349
- ic.refpdbHash['3KYS'] = ['TEAD1_3kysC_human'];
45350
- ic.refpdbHash['7PHR'] = ['B2Microglobulin_7phrL_human_C1'];
45351
- ic.refpdbHash['2AW2'] = ['BTLA_2aw2A_human_Iset'];
45352
- ic.refpdbHash['1HL5'] = ['CuZnSuperoxideDismutase_1hl5C_human'];
45353
- ic.refpdbHash['1WF5'] = ['Sidekick2_1wf5A_human_FN3-n7'];
45354
- ic.refpdbHash['5J0B'] = ['Siglec3_5j0bB_human_C2-n2'];
45355
- ic.refpdbHash['1IFR'] = ['LaminAC_1ifrA_human'];
45356
- ic.refpdbHash['Q7Z7D3'] = ['VTCN1_Q7Z7D3_human_V-n2'];
45357
- ic.refpdbHash['4ZQK'] = ['PD1_4zqkB_human_V'];
45358
- ic.refpdbHash['2DM3'] = ['Palladin_2dm3A_human_Iset-n1'];
45359
- ic.refpdbHash['2ITE'] = ['IsdA_2iteA_bacteria'];
45360
- ic.refpdbHash['1XAK'] = ['ORF7a_1xakA_virus'];
45361
- ic.refpdbHash['4ZT1'] = ['ECadherin_4zt1A_human_n2'];
45362
- ic.refpdbHash['1LMI'] = ['MPT63_1lmiA_bacteria'];
45363
- ic.refpdbHash['1CD8'] = ['CD8a_1cd8A_human_V'];
45364
- ic.refpdbHash['3S97'] = ['Contactin1_3s97C_human_C2-n2'];
45365
- ic.refpdbHash['1AXI'] = ['GHR_1axiB_human_FN3-n1'];
45366
- ic.refpdbHash['6X4G'] = ['ICOS_6x4gA_human_V'];
45367
- ic.refpdbHash['2EE2'] = ['Contactin1_2ee2A_human_FN3-n9'];
45368
- ic.refpdbHash['4UOW'] = ['Titin_4uowM_human_Unk-n152'];
45369
- ic.refpdbHash['6A15'] = ['CD19_6al5A_human_C2orV-n1'];
45370
- ic.refpdbHash['2QKI'] = ['C3_2qkiD_human_n1'];
45329
+ ic.refpdbHash['5ESV_C'] = ['FAB-HEAVY_5esv_V-n1', 'FAB-HEAVY_5esv_C1-n2'];
45330
+ ic.refpdbHash['5ESV_D'] = ['FAB-LIGHT_5esv_V-n1', 'FAB-LIGHT_5esv_C1-n2'];
45331
+ ic.refpdbHash['8GUY_E'] = ['InsulinR_8guyE_human_FN3-n1', 'InsulinR_8guyE_human_FN3-n2'];
45332
+ ic.refpdbHash['6JXR_m'] = ['TCRa_6jxrm_human_V-n1', 'TCRa_6jxrm_human_C1-n2'];
45333
+ ic.refpdbHash['1HNF_A'] = ['CD2_1hnfA_human_V-n1', 'CD2_1hnfA_human_C2-n2'];
45334
+ ic.refpdbHash['7TZG_D'] = ['LAG3_7tzgD_human_V-n1', 'LAG3_7tzgD_human_C2-n2'];
45335
+ ic.refpdbHash['6PY8_C'] = ['RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2'];
45336
+ ic.refpdbHash['1BQU_B'] = ['IL6Rb_1bquB_human_FN3-n2', 'IL6Rb_1bquB_human_FN3-n3'];
45337
+
45338
+ ic.refpdbHash['1R4X_A'] = ['CoAtomerGamma1_1r4xA_human'];
45339
+ ic.refpdbHash['6OIL_A'] = ['VISTA_6oilA_human_V'];
45340
+ ic.refpdbHash['2ZXE_B'] = ['NaKATPaseTransporterBeta_2zxeB_spurdogshark'];
45341
+ ic.refpdbHash['1I8A_A'] = ['Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'];
45342
+ ic.refpdbHash['2FWU_A'] = ['NaCaExchanger_2fwuA_dog_n2'];
45343
+ ic.refpdbHash['4JQI_A'] = ['BArrestin1_4jqiA_rat_n1'];
45344
+ ic.refpdbHash['1NBQ_A'] = ['JAM1_1nbqA_human_VorIset-n2'];
45345
+ ic.refpdbHash['1O75_A'] = ['TP47_1o75A_bacteria'];
45346
+ ic.refpdbHash['7PHR_H'] = ['MHCIa_7phrH_human_C1'];
45347
+ ic.refpdbHash['2IIJ_A'] = ['ASF1A_2iijA_human'];
45348
+ ic.refpdbHash['4Z18_B'] = ['PDL1_4z18B_human_V-n1'];
45349
+ ic.refpdbHash['1T6V_N'] = ['VNAR_1t6vN_shark_V'];
45350
+ ic.refpdbHash['2O6C_A'] = ['TP34_2o6cA_bacteria'];
45351
+ ic.refpdbHash['3KYS_C'] = ['TEAD1_3kysC_human'];
45352
+ ic.refpdbHash['7PHR_L'] = ['B2Microglobulin_7phrL_human_C1'];
45353
+ ic.refpdbHash['2AW2_A'] = ['BTLA_2aw2A_human_Iset'];
45354
+ ic.refpdbHash['1HL5_C'] = ['CuZnSuperoxideDismutase_1hl5C_human'];
45355
+ ic.refpdbHash['1WF5_A'] = ['Sidekick2_1wf5A_human_FN3-n7'];
45356
+ ic.refpdbHash['5J0B_B'] = ['Siglec3_5j0bB_human_C2-n2'];
45357
+ ic.refpdbHash['1IFR_A'] = ['LaminAC_1ifrA_human'];
45358
+ ic.refpdbHash['Q7Z7D3_A'] = ['VTCN1_Q7Z7D3_human_V-n2'];
45359
+ ic.refpdbHash['4ZQK_B'] = ['PD1_4zqkB_human_V'];
45360
+ ic.refpdbHash['2DM3_A'] = ['Palladin_2dm3A_human_Iset-n1'];
45361
+ ic.refpdbHash['2ITE_A'] = ['IsdA_2iteA_bacteria'];
45362
+ ic.refpdbHash['1XAK_A'] = ['ORF7a_1xakA_virus'];
45363
+ ic.refpdbHash['4ZT1_A'] = ['ECadherin_4zt1A_human_n2'];
45364
+ ic.refpdbHash['1LMI_A'] = ['MPT63_1lmiA_bacteria'];
45365
+ ic.refpdbHash['1CD8_A'] = ['CD8a_1cd8A_human_V'];
45366
+ ic.refpdbHash['3S97_C'] = ['Contactin1_3s97C_human_C2-n2'];
45367
+ ic.refpdbHash['1AXI_B'] = ['GHR_1axiB_human_FN3-n1'];
45368
+ ic.refpdbHash['6X4G_A'] = ['ICOS_6x4gA_human_V'];
45369
+ ic.refpdbHash['2EE2_A'] = ['Contactin1_2ee2A_human_FN3-n9'];
45370
+ ic.refpdbHash['4UOW_M'] = ['Titin_4uowM_human_Unk-n152'];
45371
+ ic.refpdbHash['6A15_A'] = ['CD19_6al5A_human_C2orV-n1'];
45372
+ ic.refpdbHash['2QKI_D'] = ['C3_2qkiD_human_n1'];
45373
+ ic.refpdbHash['1YJD_C'] = ['CD28_1yjdC_human_V'];
45371
45374
 
45372
45375
  let pdbAjaxArray = [];
45373
45376
  for(let k = 0, kl = ic.refpdbArray.length; k < kl; ++k) {
@@ -45661,11 +45664,14 @@ class LineGraph {
45661
45664
  //if(!(bBstrand && bCstrand && bEstrand && bFstrand && bGstrand)) continue;
45662
45665
  if(!(bBstrand && bCstrand && bEstrand && bFstrand)) {
45663
45666
  if(!me.bNode) console.log("Some of the Ig strands B, C, E, F are missing in the domain " + domainid + "...");
45667
+ if(ic.domainid2refpdbname[domainid]) delete ic.domainid2refpdbname[domainid];
45664
45668
  continue;
45665
45669
  }
45666
45670
  }
45667
45671
 
45668
45672
  if(!bRound1) {
45673
+ console.log("domainid: " + domainid);
45674
+
45669
45675
  if(!domainid2score.hasOwnProperty(domainid) || queryData[0].score > domainid2score[domainid]) {
45670
45676
  domainid2score[domainid] = queryData[0].score;
45671
45677
 
@@ -45697,11 +45703,14 @@ class LineGraph {
45697
45703
  for(let domainid in ic.domainid2refpdbname) {
45698
45704
  let pdbAjaxArray = [];
45699
45705
  let refpdbname = ic.domainid2refpdbname[domainid];
45700
- let pdbid = domainid.substr(0, domainid.indexOf('_'));
45706
+ //let pdbid = domainid.substr(0, domainid.indexOf('_'));
45707
+ let chainid = domainid.substr(0, domainid.indexOf('-'));
45701
45708
 
45702
- if(ic.refpdbHash.hasOwnProperty(pdbid)) {
45709
+ //if(ic.refpdbHash.hasOwnProperty(pdbid)) {
45710
+ if(ic.refpdbHash.hasOwnProperty(chainid)) {
45703
45711
  // use itself as the ref structure
45704
- refpdbname = pdbid;
45712
+ //refpdbname = pdbid;
45713
+ refpdbname = chainid;
45705
45714
 
45706
45715
  if(!me.bNode) console.log("Adjusted refpdbname for domainid " + domainid + ": " + refpdbname);
45707
45716
  }
@@ -45743,11 +45752,11 @@ class LineGraph {
45743
45752
  dataArray3 = await allPromise;
45744
45753
 
45745
45754
  await thisClass.parseAlignData(dataArray3, domainidpairArray3);
45746
-
45755
+
45747
45756
  // end of round 2
45748
45757
  return;
45749
45758
  }
45750
-
45759
+
45751
45760
  // combine domainid into chainid
45752
45761
  let processedChainid = {};
45753
45762
  for(let domainid in ic.domainid2refpdbname) {
@@ -45854,17 +45863,18 @@ class LineGraph {
45854
45863
 
45855
45864
  // A-: 10xx
45856
45865
  // A: 11xx
45866
+ // A+ continue A
45857
45867
  // A': 12xx
45858
- // A+: 13xx
45859
45868
  // B: 21xx
45860
45869
  // C: 32xx
45861
45870
  // C': 42xx
45862
45871
  // C'': 51xx, 52xx
45863
45872
  // D: 61xx
45864
45873
  // E: 71xx
45874
+ // E+: continue E
45865
45875
  // F: 82xx
45866
45876
  // G: 91xx, 92xx
45867
- // G+: 94xx
45877
+ // G+: continue G
45868
45878
 
45869
45879
  // if(refnum < 100) return " " + oriRefnum;
45870
45880
  // else if(refnum >= 100 && refnum < 1000) {
@@ -45874,11 +45884,10 @@ class LineGraph {
45874
45884
  if(refnum < 900) return undefined;
45875
45885
  else if(refnum >= 900 && refnum < 1000) return " " + oriRefnum;
45876
45886
  else if(refnum >= 1000 && refnum < 1100) return "A-" + oriRefnum;
45877
- else if(refnum >= 1100 && refnum < 1200) return "A" + oriRefnum;
45887
+ else if(refnum >= 1100 && refnum < 1200) return "A" + oriRefnum; // could be A+
45878
45888
  else if(refnum >= 1200 && refnum < 1300) return "A'" + oriRefnum;
45879
- //else if(refnum >= 1300 && refnum < 1400) return "A*" + oriRefnum;
45880
- else if(refnum >= 1300 && refnum < 1400) return "A+" + oriRefnum;
45881
- else if(refnum >= 1400 && refnum < 2000) {
45889
+ //else if(refnum >= 1300 && refnum < 1400) return "A+" + oriRefnum;
45890
+ else if(refnum >= 1300 && refnum < 2000) {
45882
45891
  if(prevStrand && prevStrand.substr(0, 1) == 'A') {
45883
45892
  return prevStrand + oriRefnum;
45884
45893
  }
@@ -45891,12 +45900,11 @@ class LineGraph {
45891
45900
  else if(refnum >= 4000 && refnum < 5000) return "C'" + oriRefnum;
45892
45901
  else if(refnum >= 5000 && refnum < 6000) return "C''" + oriRefnum;
45893
45902
  else if(refnum >= 6000 && refnum < 7000) return "D" + oriRefnum;
45894
- else if(refnum >= 7000 && refnum < 8000) return "E" + oriRefnum;
45903
+ else if(refnum >= 7000 && refnum < 8000) return "E" + oriRefnum; // could be E+
45895
45904
  else if(refnum >= 8000 && refnum < 9000) return "F" + oriRefnum;
45896
- else if(refnum >= 9000 && refnum < 9400) return "G" + oriRefnum;
45897
- //else if(refnum >= 9400 && refnum < 9500) return "G*" + oriRefnum;
45898
- else if(refnum >= 9400 && refnum < 9500) return "G+" + oriRefnum;
45899
- else if(refnum >= 9500) return "G" + oriRefnum;
45905
+ else if(refnum >= 9000 && refnum < 9300) return "G" + oriRefnum; // could be G+
45906
+ //else if(refnum >= 9400 && refnum < 9500) return "G+" + oriRefnum;
45907
+ else if(refnum >= 9300) return "G" + oriRefnum;
45900
45908
  }
45901
45909
 
45902
45910
  async parseCustomRefFile(data) { let ic = this.icn3d; ic.icn3dui;
@@ -49810,7 +49818,12 @@ class ChainalignParser {
49810
49818
  targetAjax = me.getAjaxPromise(url_t, 'text');
49811
49819
  }
49812
49820
  else {
49813
- 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;
49821
+ let structureTmp = structure;
49822
+ if(structure.length == 5) {
49823
+ structureTmp = structure.substr(0,4);
49824
+ }
49825
+
49826
+ 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;
49814
49827
  if(me.cfg.inpara !== undefined) url_t += me.cfg.inpara;
49815
49828
 
49816
49829
  targetAjax = me.getAjaxPromise(url_t, 'jsonp');
@@ -49887,7 +49900,8 @@ class ChainalignParser {
49887
49900
  }
49888
49901
  else {
49889
49902
  let bNoSeqalign = true;
49890
- hAtomsTmp = await ic.mmdbParserCls.parseMmdbData(queryDataArray[i], targetOrQuery, undefined, undefined, bLastQuery, bNoSeqalign);
49903
+ let pdbid = structArray[i];
49904
+ hAtomsTmp = await ic.mmdbParserCls.parseMmdbData(queryDataArray[i], targetOrQuery, undefined, undefined, bLastQuery, bNoSeqalign, pdbid);
49891
49905
  }
49892
49906
 
49893
49907
  hAtoms = me.hashUtilsCls.unionHash(hAtoms, hAtomsTmp);
@@ -50549,9 +50563,10 @@ class MmdbParser {
50549
50563
  }
50550
50564
  }
50551
50565
 
50552
- async parseMmdbData(data, type, chainid, chainIndex, bLastQuery, bNoTransformNoSeqalign) { let ic = this.icn3d, me = ic.icn3dui;
50566
+ async parseMmdbData(data, type, chainid, chainIndex, bLastQuery, bNoTransformNoSeqalign, pdbidIn) { let ic = this.icn3d, me = ic.icn3dui;
50553
50567
  let hAtoms;
50554
- let pdbid =(data.pdbId !== undefined) ? data.pdbId : data.mmdbId;
50568
+ let pdbid = (data.pdbId !== undefined) ? data.pdbId : data.mmdbId;
50569
+ if(pdbidIn) pdbid = pdbidIn;
50555
50570
 
50556
50571
  this.parseMmdbDataPart1(data, type);
50557
50572
 
@@ -64121,8 +64136,11 @@ class Delphi {
64121
64136
  let salt = saltArray[1]; //parseFloat(saltArray[1]);
64122
64137
 
64123
64138
  // The values should be string
64124
- $("#" + ic.pre + "delphigsize").val(gsize);
64125
- $("#" + ic.pre + "delphisalt").val(salt);
64139
+ $("#" + ic.pre + "delphi1gsize").val(gsize);
64140
+ $("#" + ic.pre + "delphi1salt").val(salt);
64141
+
64142
+ $("#" + ic.pre + "delphi2gsize").val(gsize);
64143
+ $("#" + ic.pre + "delphi2salt").val(salt);
64126
64144
 
64127
64145
  if(paraArray.length == 7) {
64128
64146
  let surfaceArray = paraArray[4].split(" ");
@@ -64147,11 +64165,11 @@ class Delphi {
64147
64165
  }
64148
64166
 
64149
64167
  async loadDelphiFile(type) { let ic = this.icn3d, me = ic.icn3dui;
64150
- let gsize = $("#" + ic.pre + "delphigsize").val();
64151
- let salt = $("#" + ic.pre + "delphisalt").val();
64152
- let contour =(type == 'delphi2') ? $("#" + ic.pre + "delphicontour2").val() : $("#" + ic.pre + "delphicontour").val();
64168
+ let gsize = (type == 'delphi2') ? $("#" + ic.pre + "delphi2gsize").val() : $("#" + ic.pre + "delphi1gsize").val();
64169
+ let salt = (type == 'delphi2') ? $("#" + ic.pre + "delphi2salt").val() : $("#" + ic.pre + "delphi1gsize").val();
64170
+ let contour = (type == 'delphi2') ? $("#" + ic.pre + "delphicontour2").val() : $("#" + ic.pre + "delphicontour").val();
64153
64171
 
64154
- let bSurface =(type == 'delphi2') ? true: false;
64172
+ let bSurface = (type == 'delphi2') ? true: false;
64155
64173
 
64156
64174
  await this.CalcPhi(gsize, salt, contour, bSurface);
64157
64175
 
@@ -67879,7 +67897,7 @@ class ResizeCanvas {
67879
67897
 
67880
67898
  ic.applyCenterCls.setWidthHeight(width, heightTmp);
67881
67899
 
67882
- if(bDraw === undefined || bDraw) {
67900
+ if(ic.structures && Object.keys(ic.structures).length > 0 && (bDraw === undefined || bDraw)) {
67883
67901
  ic.drawCls.draw();
67884
67902
  }
67885
67903
  }
@@ -72757,17 +72775,17 @@ iCn3DUI.prototype.show3DStructure = async function(pdbStr) { let me = this;
72757
72775
  chainidArray.push(domainidArray[i]);
72758
72776
  }
72759
72777
  }
72760
-
72761
- let mmdbafid = '';
72762
- for(let i = 0, il = chainidArray.length; i < il; ++i) {
72763
- if(i > 0) mmdbafid += ',';
72764
- mmdbafid += chainidArray[i].substr(0, chainidArray[i].indexOf('_'));
72765
- }
72766
72778
 
72767
72779
  // realign
72768
72780
  ic.chainidArray = [chain_t].concat(chainidArray);
72769
72781
  ic.chainidArray = ic.chainalignParserCls.addPostfixForChainids(ic.chainidArray);
72770
72782
 
72783
+ let mmdbafid = '';
72784
+ for(let i = 0, il = ic.chainidArray.length; i < il; ++i) {
72785
+ if(i > 0) mmdbafid += ',';
72786
+ mmdbafid += ic.chainidArray[i].substr(0, ic.chainidArray[i].indexOf('_'));
72787
+ }
72788
+
72771
72789
  me.htmlCls.clickMenuCls.setLogCmd('resdef ' + me.cfg.resdef, true);
72772
72790
 
72773
72791
  ic.loadCmd = 'vast_search_chainid ' + ic.chainidArray;