icn3d 3.26.1 → 3.26.3
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/icn3d.js +88 -88
- package/icn3d.min.js +1 -1
- package/icn3d.module.js +88 -88
- package/package.json +1 -1
package/icn3d.module.js
CHANGED
|
@@ -35659,7 +35659,6 @@ class SetColor {
|
|
|
35659
35659
|
let refnumStr = ic.refnumCls.rmStrandFromRefnumlabel(refnumLabel);
|
|
35660
35660
|
let currStrand = refnumLabel.replace(new RegExp(refnumStr,'g'), '');
|
|
35661
35661
|
color = ic.showSeqCls.getRefnumColor(currStrand);
|
|
35662
|
-
|
|
35663
35662
|
if(ic.residIgLoop.hasOwnProperty(resid)) {
|
|
35664
35663
|
color = me.parasCls.thr(me.htmlCls.GREYB);
|
|
35665
35664
|
}
|
|
@@ -41929,16 +41928,6 @@ class ShowAnno {
|
|
|
41929
41928
|
} // align seq to structure
|
|
41930
41929
|
}
|
|
41931
41930
|
//ic.bAnnoShown = true;
|
|
41932
|
-
|
|
41933
|
-
if(ic.bShowRefnum) {
|
|
41934
|
-
ic.opts.color = 'ig strand';
|
|
41935
|
-
//ic.setColorCls.setColorByOptions(ic.opts, ic.atoms);
|
|
41936
|
-
ic.setColorCls.setColorByOptions(ic.opts, ic.dAtoms);
|
|
41937
|
-
|
|
41938
|
-
ic.selectionCls.selectAll_base();
|
|
41939
|
-
ic.hlUpdateCls.updateHlAll();
|
|
41940
|
-
//ic.drawCls.draw();
|
|
41941
|
-
}
|
|
41942
41931
|
}
|
|
41943
41932
|
|
|
41944
41933
|
async showAnnoSeqData(nucleotide_chainid, chemical_chainid, chemical_set) { let ic = this.icn3d, me = ic.icn3dui;
|
|
@@ -42951,18 +42940,25 @@ class ShowSeq {
|
|
|
42951
42940
|
html += result.html;
|
|
42952
42941
|
html3 += result.html3;
|
|
42953
42942
|
|
|
42943
|
+
if(ic.bShowRefnum) {
|
|
42944
|
+
ic.opts.color = 'ig strand';
|
|
42945
|
+
//ic.setColorCls.setColorByOptions(ic.opts, ic.atoms);
|
|
42946
|
+
ic.setColorCls.setColorByOptions(ic.opts, ic.dAtoms);
|
|
42947
|
+
|
|
42948
|
+
ic.selectionCls.selectAll_base();
|
|
42949
|
+
ic.hlUpdateCls.updateHlAll();
|
|
42950
|
+
//ic.drawCls.draw();
|
|
42951
|
+
}
|
|
42952
|
+
|
|
42954
42953
|
return {'html': html, 'html3': html3};
|
|
42955
42954
|
}
|
|
42956
42955
|
|
|
42957
42956
|
showRefNum(giSeq, chnid, kabat_or_imgt, bCustom) { let ic = this.icn3d, me = ic.icn3dui;
|
|
42958
42957
|
let html = '', html3 = '';
|
|
42959
42958
|
|
|
42960
|
-
let chainList = '';
|
|
42961
42959
|
if(!ic.chainid2refpdbname[chnid]) return {html: html, html3: html3};
|
|
42962
42960
|
|
|
42963
|
-
|
|
42964
|
-
chainList += ic.chainid2refpdbname[chnid][i] + " ";
|
|
42965
|
-
}
|
|
42961
|
+
let chainList = ic.refnumCls.getTemplateList(chnid);
|
|
42966
42962
|
|
|
42967
42963
|
let refStruTitle = (chainList) ? "based on " + chainList : "";
|
|
42968
42964
|
|
|
@@ -43001,7 +42997,7 @@ class ShowSeq {
|
|
|
43001
42997
|
return {html: '', html3: ''};
|
|
43002
42998
|
}
|
|
43003
42999
|
|
|
43004
|
-
//check if
|
|
43000
|
+
//check if IMGT refnum available
|
|
43005
43001
|
let bImgtFound = false;
|
|
43006
43002
|
for(let i = 0, il = giSeq.length; i < il; ++i) {
|
|
43007
43003
|
let currResi = ic.ParserUtilsCls.getResi(chnid, i);
|
|
@@ -43408,7 +43404,7 @@ class ShowSeq {
|
|
|
43408
43404
|
}
|
|
43409
43405
|
}
|
|
43410
43406
|
}
|
|
43411
|
-
else {
|
|
43407
|
+
else {
|
|
43412
43408
|
if(currStrand != ' ') {
|
|
43413
43409
|
bLoop = ic.residIgLoop[residueid];
|
|
43414
43410
|
html += this.getRefnumHtml(residueid, refnumStr, refnumStr_ori, refnumLabel, currStrand, bLoop, bHidelabel);
|
|
@@ -43686,6 +43682,8 @@ class HlSeq {
|
|
|
43686
43682
|
//});
|
|
43687
43683
|
|
|
43688
43684
|
// remove possible text selection
|
|
43685
|
+
// the following code caused the scroll of seqeunce window to the top, remove it for now
|
|
43686
|
+
/*
|
|
43689
43687
|
if(window.getSelection) {
|
|
43690
43688
|
if(window.getSelection().empty) { // Chrome
|
|
43691
43689
|
window.getSelection().empty();
|
|
@@ -43695,6 +43693,7 @@ class HlSeq {
|
|
|
43695
43693
|
} else if(document.selection) { // IE?
|
|
43696
43694
|
document.selection.empty();
|
|
43697
43695
|
}
|
|
43696
|
+
*/
|
|
43698
43697
|
});
|
|
43699
43698
|
}
|
|
43700
43699
|
|
|
@@ -45202,61 +45201,6 @@ class LineGraph {
|
|
|
45202
45201
|
async showIgRefNum() { let ic = this.icn3d, me = ic.icn3dui;
|
|
45203
45202
|
let thisClass = this;
|
|
45204
45203
|
|
|
45205
|
-
// if(ic.pdbDataArray) {
|
|
45206
|
-
// await thisClass.parseRefPdbData(ic.pdbDataArray);
|
|
45207
|
-
// }
|
|
45208
|
-
// else {
|
|
45209
|
-
//ic.refpdbArray = ['ASF1A_2iijA_human', 'B2Microglobulin_7phrL_human_C1', 'BArrestin1_4jqiA_rat_n1', 'BTLA_2aw2A_human_Iset', 'C3_2qkiD_human_n1', 'CD19_6al5A_human_C2orV-n1', 'CD2_1hnfA_human_C2-n2', 'CD2_1hnfA_human_V-n1', 'CD8a_1cd8A_human_V', 'CoAtomerGamma1_1r4xA_human', 'Contactin1_2ee2A_human_FN3-n9', 'Contactin1_3s97C_human_C2-n2', 'CuZnSuperoxideDismutase_1hl5C_human', 'ECadherin_4zt1A_human_n2', 'Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4', 'FAB-HEAVY_5esv_C1-n2', 'FAB-HEAVY_5esv_V-n1', 'FAB-LIGHT_5esv_C1-n2', 'FAB-LIGHT_5esv_V-n1', 'GHR_1axiB_human_FN3-n1', 'ICOS_6x4gA_human_V', 'IL6Rb_1bquB_human_FN3-n2', 'IL6Rb_1bquB_human_FN3-n3', 'InsulinR_8guyE_human_FN3-n1', 'InsulinR_8guyE_human_FN3-n2', 'IsdA_2iteA_bacteria', 'JAM1_1nbqA_human_VorIset-n2', 'LAG3_7tzgD_human_C2-n2', 'LAG3_7tzgD_human_V-n1', 'LaminAC_1ifrA_human', 'MHCIa_7phrH_human_C1', 'MPT63_1lmiA_bacteria', 'NaCaExchanger_2fwuA_dog_n2', 'NaKATPaseTransporterBeta_2zxeB_spurdogshark', 'ORF7a_1xakA_virus', 'PD1_4zqkB_human_V', 'PDL1_4z18B_human_V-n1', 'Palladin_2dm3A_human_Iset-n1', 'RBPJ_6py8C_human_Unk-n1', 'RBPJ_6py8C_human_Unk-n2', 'Sidekick2_1wf5A_human_FN3-n7', 'Siglec3_5j0bB_human_C2-n2', 'TCRa_6jxrm_human_C1-n2', 'TCRa_6jxrm_human_V-n1', 'TEAD1_3kysC_human', 'TP34_2o6cA_bacteria', 'TP47_1o75A_bacteria', 'Titin_4uowM_human_Unk-n152', 'VISTA_6oilA_human_V', 'VNAR_1t6vN_shark_V', 'VTCN1_Q7Z7D3_human_V-n2'];
|
|
45210
|
-
|
|
45211
|
-
//ic.refpdbArray = ['1ASF1A_2iijA_human', '1B2Microglobulin_7phrL_human_C1', '1BArrestin1_4jqiA_rat_n1', '1BTLA_2aw2A_human_Iset', '1C3_2qkiD_human_n1', '1CD19_6al5A_human_C2orV-n1', '1CD2_1hnfA_human_C2-n2', '1CD2_1hnfA_human_V-n1', '1CD8a_1cd8A_human_V', '1CoAtomerGamma1_1r4xA_human', '1Contactin1_2ee2A_human_FN3-n9', '1Contactin1_3s97C_human_C2-n2', '1CuZnSuperoxideDismutase_1hl5C_human', '1ECadherin_4zt1A_human_n2', '1Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4', '1FAB-HEAVY_5esv_C1-n2', '1FAB-HEAVY_5esv_V-n1', '1FAB-LIGHT_5esv_C1-n2', '1FAB-LIGHT_5esv_V-n1', '1GHR_1axiB_human_FN3-n1', '1ICOS_6x4gA_human_V', '1IL6Rb_1bquB_human_FN3-n2', '1IL6Rb_1bquB_human_FN3-n3', '1InsulinR_8guyE_human_FN3-n1', '1InsulinR_8guyE_human_FN3-n2', '1IsdA_2iteA_bacteria', '1JAM1_1nbqA_human_VorIset-n2', '1LAG3_7tzgD_human_C2-n2', '1LAG3_7tzgD_human_V-n1', '1LaminAC_1ifrA_human', '1MHCIa_7phrH_human_C1', '1MPT63_1lmiA_bacteria', '1NaCaExchanger_2fwuA_dog_n2', '1NaKATPaseTransporterBeta_2zxeB_spurdogshark', '1ORF7a_1xakA_virus', '1PD1_4zqkB_human_V', '1PDL1_4z18B_human_V-n1', '1Palladin_2dm3A_human_Iset-n1', '1RBPJ_6py8C_human_Unk-n1', '1RBPJ_6py8C_human_Unk-n2', '1Sidekick2_1wf5A_human_FN3-n7', '1Siglec3_5j0bB_human_C2-n2', '1TCRa_6jxrm_human_C1-n2', '1TCRa_6jxrm_human_V-n1', '1TEAD1_3kysC_human', '1TP34_2o6cA_bacteria', '1TP47_1o75A_bacteria', '1Titin_4uowM_human_Unk-n152', '1VISTA_6oilA_human_V', '1VNAR_1t6vN_shark_V', '1VTCN1_Q7Z7D3_human_V-n2'];
|
|
45212
|
-
|
|
45213
|
-
/*
|
|
45214
|
-
// round 1
|
|
45215
|
-
ic.refpdbArray = ['NaKATPaseTransporterBeta_2zxeB_spurdogshark', 'GHR_1axiB_human_FN3-n1', 'FAB-HEAVY_5esv_C1-n2', 'IL6Rb_1bquB_human_FN3-n2', 'LAG3_7tzgD_human_C2-n2', 'VNAR_1t6vN_shark_V', 'VISTA_6oilA_human_V', 'CD19_6al5A_human_C2orV-n1', 'TP47_1o75A_bacteria', 'TP34_2o6cA_bacteria'];
|
|
45216
|
-
// round 2
|
|
45217
|
-
ic.refpdbHash = {};
|
|
45218
|
-
|
|
45219
|
-
ic.refpdbHash['NaKATPaseTransporterBeta_2zxeB_spurdogshark'] = ['NaKATPaseTransporterBeta_2zxeB_spurdogshark', 'ORF7a_1xakA_virus', 'NaCaExchanger_2fwuA_dog_n2', 'BArrestin1_4jqiA_rat_n1', 'ECadherin_4zt1A_human_n2', 'C3_2qkiD_human_n1', 'RBPJ_6py8C_human_Unk-n1'];
|
|
45220
|
-
ic.refpdbHash['GHR_1axiB_human_FN3-n1'] = ['GHR_1axiB_human_FN3-n1', 'Siglec3_5j0bB_human_C2-n2', 'ICOS_6x4gA_human_V', 'CD2_1hnfA_human_C2-n2', 'Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'];
|
|
45221
|
-
ic.refpdbHash['FAB-HEAVY_5esv_C1-n2'] = ['FAB-HEAVY_5esv_C1-n2', 'B2Microglobulin_7phrL_human_C1', 'VTCN1_Q7Z7D3_human_V-n2', 'FAB-LIGHT_5esv_C1-n2', 'MHCIa_7phrH_human_C1'];
|
|
45222
|
-
ic.refpdbHash['IL6Rb_1bquB_human_FN3-n2'] = ['IL6Rb_1bquB_human_FN3-n2', 'Contactin1_2ee2A_human_FN3-n9', 'IL6Rb_1bquB_human_FN3-n3', 'InsulinR_8guyE_human_FN3-n1', 'Sidekick2_1wf5A_human_FN3-n7', 'InsulinR_8guyE_human_FN3-n2'];
|
|
45223
|
-
ic.refpdbHash['LAG3_7tzgD_human_C2-n2'] = ['LAG3_7tzgD_human_C2-n2', 'JAM1_1nbqA_human_VorIset-n2', 'Contactin1_3s97C_human_C2-n2', 'Palladin_2dm3A_human_Iset-n1', 'BTLA_2aw2A_human_Iset', 'Titin_4uowM_human_Unk-n152'];
|
|
45224
|
-
ic.refpdbHash['VNAR_1t6vN_shark_V'] = ['VNAR_1t6vN_shark_V', 'PD1_4zqkB_human_V', 'CD8a_1cd8A_human_V', 'TCRa_6jxrm_human_V-n1', 'FAB-HEAVY_5esv_V-n1', 'FAB-LIGHT_5esv_V-n1'];
|
|
45225
|
-
ic.refpdbHash['VISTA_6oilA_human_V'] = ['VISTA_6oilA_human_V', 'LAG3_7tzgD_human_V-n1', 'PDL1_4z18B_human_V-n1', 'CD2_1hnfA_human_V-n1'];
|
|
45226
|
-
ic.refpdbHash['CD19_6al5A_human_C2orV-n1'] = ['CD19_6al5A_human_C2orV-n1'];
|
|
45227
|
-
ic.refpdbHash['TP47_1o75A_bacteria'] = ['TP47_1o75A_bacteria', 'TEAD1_3kysC_human', 'RBPJ_6py8C_human_Unk-n2', 'CuZnSuperoxideDismutase_1hl5C_human', 'ASF1A_2iijA_human'];
|
|
45228
|
-
ic.refpdbHash['TP34_2o6cA_bacteria'] = ['TP34_2o6cA_bacteria', 'TCRa_6jxrm_human_C1-n2', 'IsdA_2iteA_bacteria', 'LaminAC_1ifrA_human', 'CoAtomerGamma1_1r4xA_human', 'MPT63_1lmiA_bacteria'];
|
|
45229
|
-
*/
|
|
45230
|
-
/*
|
|
45231
|
-
// round 1
|
|
45232
|
-
ic.refpdbArray = ['NaCaExchanger_2fwuA_dog_n2', 'C3_2qkiD_human_n1', 'Siglec3_5j0bB_human_C2-n2', 'ICOS_6x4gA_human_V', 'B2Microglobulin_7phrL_human_C1', 'VTCN1_Q7Z7D3_human_V-n2', 'Contactin1_2ee2A_human_FN3-n9', 'InsulinR_8guyE_human_FN3-n1', 'JAM1_1nbqA_human_VorIset-n2', 'LAG3_7tzgD_human_C2-n2', 'Palladin_2dm3A_human_Iset-n1', 'PD1_4zqkB_human_V', 'CD8a_1cd8A_human_V', 'VISTA_6oilA_human_V', 'LAG3_7tzgD_human_V-n1', 'TP47_1o75A_bacteria', 'TP34_2o6cA_bacteria', 'TEAD1_3kysC_human', 'RBPJ_6py8C_human_Unk-n2', 'TCRa_6jxrm_human_C1-n2', 'IsdA_2iteA_bacteria', 'LaminAC_1ifrA_human', 'CD19_6al5A_human_C2orV-n1'];
|
|
45233
|
-
|
|
45234
|
-
// round 2
|
|
45235
|
-
ic.refpdbHash = {};
|
|
45236
|
-
ic.refpdbHash['NaCaExchanger_2fwuA_dog_n2'] = ['NaCaExchanger_2fwuA_dog_n2', 'ORF7a_1xakA_virus', 'ECadherin_4zt1A_human_n2', 'NaKATPaseTransporterBeta_2zxeB_spurdogshark'];
|
|
45237
|
-
ic.refpdbHash['C3_2qkiD_human_n1'] = ['C3_2qkiD_human_n1', 'RBPJ_6py8C_human_Unk-n1', 'BArrestin1_4jqiA_rat_n1'];
|
|
45238
|
-
ic.refpdbHash['Siglec3_5j0bB_human_C2-n2'] = ['Siglec3_5j0bB_human_C2-n2', 'CD2_1hnfA_human_C2-n2', 'GHR_1axiB_human_FN3-n1'];
|
|
45239
|
-
ic.refpdbHash['ICOS_6x4gA_human_V'] = ['ICOS_6x4gA_human_V', 'Endo-1,4-BetaXylanase10A_1i8aA_bacteria_n4'];
|
|
45240
|
-
ic.refpdbHash['B2Microglobulin_7phrL_human_C1'] = ['B2Microglobulin_7phrL_human_C1', 'FAB-HEAVY_5esv_C1-n2', 'MHCIa_7phrH_human_C1'];
|
|
45241
|
-
ic.refpdbHash['VTCN1_Q7Z7D3_human_V-n2'] = ['VTCN1_Q7Z7D3_human_V-n2', 'FAB-LIGHT_5esv_C1-n2'];
|
|
45242
|
-
ic.refpdbHash['Contactin1_2ee2A_human_FN3-n9'] = ['Contactin1_2ee2A_human_FN3-n9', 'IL6Rb_1bquB_human_FN3-n3', 'Sidekick2_1wf5A_human_FN3-n7'];
|
|
45243
|
-
ic.refpdbHash['InsulinR_8guyE_human_FN3-n1'] = ['InsulinR_8guyE_human_FN3-n1', 'InsulinR_8guyE_human_FN3-n2', 'IL6Rb_1bquB_human_FN3-n2'];
|
|
45244
|
-
ic.refpdbHash['JAM1_1nbqA_human_VorIset-n2'] = ['JAM1_1nbqA_human_VorIset-n2', 'Contactin1_3s97C_human_C2-n2'];
|
|
45245
|
-
ic.refpdbHash['LAG3_7tzgD_human_C2-n2'] = ['LAG3_7tzgD_human_C2-n2', 'BTLA_2aw2A_human_Iset'];
|
|
45246
|
-
ic.refpdbHash['Palladin_2dm3A_human_Iset-n1'] = ['Palladin_2dm3A_human_Iset-n1', 'Titin_4uowM_human_Unk-n152'];
|
|
45247
|
-
ic.refpdbHash['PD1_4zqkB_human_V'] = ['PD1_4zqkB_human_V', 'TCRa_6jxrm_human_V-n1', 'FAB-LIGHT_5esv_V-n1'];
|
|
45248
|
-
ic.refpdbHash['CD8a_1cd8A_human_V'] = ['CD8a_1cd8A_human_V', 'FAB-HEAVY_5esv_V-n1', 'VNAR_1t6vN_shark_V'];
|
|
45249
|
-
ic.refpdbHash['VISTA_6oilA_human_V'] = ['VISTA_6oilA_human_V', 'PDL1_4z18B_human_V-n1', 'CD2_1hnfA_human_V-n1'];
|
|
45250
|
-
ic.refpdbHash['LAG3_7tzgD_human_V-n1'] = ['LAG3_7tzgD_human_V-n1'];
|
|
45251
|
-
ic.refpdbHash['TP47_1o75A_bacteria'] = ['TP47_1o75A_bacteria'];
|
|
45252
|
-
ic.refpdbHash['TP34_2o6cA_bacteria'] = ['TP34_2o6cA_bacteria'];
|
|
45253
|
-
ic.refpdbHash['TEAD1_3kysC_human'] = ['TEAD1_3kysC_human', 'CuZnSuperoxideDismutase_1hl5C_human'];
|
|
45254
|
-
ic.refpdbHash['RBPJ_6py8C_human_Unk-n2'] = ['RBPJ_6py8C_human_Unk-n2', 'ASF1A_2iijA_human'];
|
|
45255
|
-
ic.refpdbHash['TCRa_6jxrm_human_C1-n2'] = ['TCRa_6jxrm_human_C1-n2'];
|
|
45256
|
-
ic.refpdbHash['IsdA_2iteA_bacteria'] = ['IsdA_2iteA_bacteria', 'CoAtomerGamma1_1r4xA_human'];
|
|
45257
|
-
ic.refpdbHash['LaminAC_1ifrA_human'] = ['LaminAC_1ifrA_human', 'MPT63_1lmiA_bacteria'];
|
|
45258
|
-
ic.refpdbHash['CD19_6al5A_human_C2orV-n1'] = ['CD19_6al5A_human_C2orV-n1'];
|
|
45259
|
-
*/
|
|
45260
45204
|
// round 1, 16 templates
|
|
45261
45205
|
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'];
|
|
45262
45206
|
|
|
@@ -45324,11 +45268,6 @@ class LineGraph {
|
|
|
45324
45268
|
ic.refpdbHash['6A15'] = ['CD19_6al5A_human_C2orV-n1'];
|
|
45325
45269
|
ic.refpdbHash['2QKI'] = ['C3_2qkiD_human_n1'];
|
|
45326
45270
|
|
|
45327
|
-
// if(ic.pdbDataArray) {
|
|
45328
|
-
// await thisClass.parseRefPdbData(ic.pdbDataArray);
|
|
45329
|
-
// }
|
|
45330
|
-
// else {
|
|
45331
|
-
|
|
45332
45271
|
let pdbAjaxArray = [];
|
|
45333
45272
|
for(let k = 0, kl = ic.refpdbArray.length; k < kl; ++k) {
|
|
45334
45273
|
//let urlpdb = me.htmlCls.baseUrl + "icn3d/refpdb/" + ic.refpdbArray[k] + ".pdb";
|
|
@@ -45434,7 +45373,11 @@ class LineGraph {
|
|
|
45434
45373
|
for(let k = 0, kl = domainAtomsArray.length; k < kl; ++k) {
|
|
45435
45374
|
let pdb_target = ic.saveFileCls.getAtomPDB(domainAtomsArray[k], undefined, undefined, undefined, undefined, struct);
|
|
45436
45375
|
// ig strand for any subset will have the same k, use the number of residue to separate them
|
|
45437
|
-
let
|
|
45376
|
+
let atomFirst = ic.firstAtomObjCls.getFirstAtomObj(domainAtomsArray[k]);
|
|
45377
|
+
let atomLast = ic.firstAtomObjCls.getLastAtomObj(domainAtomsArray[k]);
|
|
45378
|
+
let resiSum = parseInt(atomFirst.resi) + parseInt(atomLast.resi);
|
|
45379
|
+
//let domainid = chainid + '-' + k + '_' + Object.keys(domainAtomsArray[k]).length;
|
|
45380
|
+
let domainid = chainid + '-' + k + '_' + resiSum;
|
|
45438
45381
|
ic.domainid2pdb[domainid] = pdb_target;
|
|
45439
45382
|
|
|
45440
45383
|
for(let index = 0, indexl = dataArray.length; index < indexl; ++index) {
|
|
@@ -45456,8 +45399,27 @@ class LineGraph {
|
|
|
45456
45399
|
|
|
45457
45400
|
try {
|
|
45458
45401
|
let dataArray2 = [];
|
|
45459
|
-
|
|
45460
|
-
|
|
45402
|
+
|
|
45403
|
+
// let allPromise = Promise.allSettled(ajaxArray);
|
|
45404
|
+
// dataArray2 = await allPromise;
|
|
45405
|
+
|
|
45406
|
+
//split arrays into chunks of 100 jobs
|
|
45407
|
+
let n = (me.bNode) ? 48 : 96;
|
|
45408
|
+
for(let i = 0, il = (ajaxArray.length - 1) / n + 1; i < il; ++i) {
|
|
45409
|
+
let currAjaxArray = [];
|
|
45410
|
+
if(i == il - 1) { // last one
|
|
45411
|
+
currAjaxArray = ajaxArray.slice(i * n, ajaxArray.length);
|
|
45412
|
+
}
|
|
45413
|
+
else {
|
|
45414
|
+
currAjaxArray = ajaxArray.slice(i * n, (i + 1) * n);
|
|
45415
|
+
}
|
|
45416
|
+
|
|
45417
|
+
let currPromise = Promise.allSettled(currAjaxArray);
|
|
45418
|
+
let currDataArray = await currPromise;
|
|
45419
|
+
|
|
45420
|
+
dataArray2 = dataArray2.concat(currDataArray);
|
|
45421
|
+
}
|
|
45422
|
+
|
|
45461
45423
|
|
|
45462
45424
|
let bRound1 = true;
|
|
45463
45425
|
await thisClass.parseAlignData(dataArray2, domainidpairArray, bRound1);
|
|
@@ -45465,12 +45427,42 @@ class LineGraph {
|
|
|
45465
45427
|
/// if(ic.deferredRefnum !== undefined) ic.deferredRefnum.resolve();
|
|
45466
45428
|
}
|
|
45467
45429
|
catch(err) {
|
|
45468
|
-
|
|
45430
|
+
let mess = "Some of " + ajaxArray.length + " TM-align alignments failed. Please select a chain or a subset to assing reference numbers to avoid overloading the server...";
|
|
45431
|
+
if(!me.bNode) {
|
|
45432
|
+
alert(mess);
|
|
45433
|
+
}
|
|
45434
|
+
else {
|
|
45435
|
+
console.log(mess);
|
|
45436
|
+
}
|
|
45469
45437
|
//console.log("Error in aligning with TM-align...");
|
|
45470
45438
|
return;
|
|
45471
45439
|
}
|
|
45472
45440
|
}
|
|
45473
45441
|
|
|
45442
|
+
getTemplateList(chainid) { let ic = this.icn3d; ic.icn3dui;
|
|
45443
|
+
let domainid2refpdbname = {};
|
|
45444
|
+
|
|
45445
|
+
for(let i = 0, il = ic.chainid2refpdbname[chainid].length; i < il; ++i) {
|
|
45446
|
+
let refpdbname_domainid = ic.chainid2refpdbname[chainid][i].split('|');
|
|
45447
|
+
domainid2refpdbname[refpdbname_domainid[1]] = refpdbname_domainid[0];
|
|
45448
|
+
}
|
|
45449
|
+
|
|
45450
|
+
let domainidArray = Object.keys(domainid2refpdbname);
|
|
45451
|
+
domainidArray.sort(function(id1, id2) {
|
|
45452
|
+
let resi1 = parseInt(id1.substr(id1.lastIndexOf('_') + 1));
|
|
45453
|
+
let resi2 = parseInt(id2.substr(id2.lastIndexOf('_') + 1));
|
|
45454
|
+
return resi1 - resi2;
|
|
45455
|
+
});
|
|
45456
|
+
|
|
45457
|
+
let chainList = '';
|
|
45458
|
+
for(let i = 0, il = domainidArray.length; i < il; ++i) {
|
|
45459
|
+
chainList += domainid2refpdbname[domainidArray[i]];
|
|
45460
|
+
if(i < il - 1) chainList += ", ";
|
|
45461
|
+
}
|
|
45462
|
+
|
|
45463
|
+
return chainList;
|
|
45464
|
+
}
|
|
45465
|
+
|
|
45474
45466
|
async parseAlignData(dataArray, domainidpairArray, bRound1) { let ic = this.icn3d, me = ic.icn3dui;
|
|
45475
45467
|
let thisClass = this;
|
|
45476
45468
|
|
|
@@ -45536,7 +45528,10 @@ class LineGraph {
|
|
|
45536
45528
|
}
|
|
45537
45529
|
|
|
45538
45530
|
//if(!(bBstrand && bCstrand && bEstrand && bFstrand && bGstrand)) continue;
|
|
45539
|
-
if(!(bBstrand && bCstrand && bEstrand && bFstrand))
|
|
45531
|
+
if(!(bBstrand && bCstrand && bEstrand && bFstrand)) {
|
|
45532
|
+
if(!me.bNode) console.log("some of the Ig strands B, C, E, F are missing...");
|
|
45533
|
+
continue;
|
|
45534
|
+
}
|
|
45540
45535
|
|
|
45541
45536
|
if(!domainid2score.hasOwnProperty(domainid) || queryData[0].score > domainid2score[domainid]) {
|
|
45542
45537
|
domainid2score[domainid] = queryData[0].score;
|
|
@@ -45610,10 +45605,15 @@ class LineGraph {
|
|
|
45610
45605
|
}
|
|
45611
45606
|
|
|
45612
45607
|
// combine domainid into chainid
|
|
45608
|
+
let processedChainid = {};
|
|
45613
45609
|
for(let domainid in ic.domainid2refpdbname) {
|
|
45614
45610
|
let chainid = domainid.split('-')[0];
|
|
45611
|
+
|
|
45612
|
+
if(!processedChainid.hasOwnProperty(chainid)) ic.chainid2refpdbname[chainid] = [];
|
|
45613
|
+
processedChainid[chainid] = 1;
|
|
45614
|
+
|
|
45615
45615
|
if(!ic.chainid2refpdbname.hasOwnProperty(chainid)) ic.chainid2refpdbname[chainid] = [];
|
|
45616
|
-
ic.chainid2refpdbname[chainid].push(ic.domainid2refpdbname[domainid]);
|
|
45616
|
+
ic.chainid2refpdbname[chainid].push(ic.domainid2refpdbname[domainid] + '|' + domainid);
|
|
45617
45617
|
}
|
|
45618
45618
|
|
|
45619
45619
|
// combine domainid into chainid
|
|
@@ -45630,15 +45630,15 @@ class LineGraph {
|
|
|
45630
45630
|
for(let chainid in chainid2segs) {
|
|
45631
45631
|
let segArray = chainid2segs[chainid];
|
|
45632
45632
|
|
|
45633
|
-
let
|
|
45634
|
-
|
|
45635
|
-
|
|
45636
|
-
|
|
45633
|
+
let refpdbnameArray = ic.chainid2refpdbname[chainid];
|
|
45634
|
+
|
|
45635
|
+
let chainList = this.getTemplateList(chainid);
|
|
45636
|
+
|
|
45637
45637
|
//if(!me.bNode) console.log("The reference PDB(s) for chain " + chainid + " are " + chainList);
|
|
45638
45638
|
console.log("The reference PDB(s) for chain " + chainid + " are " + chainList);
|
|
45639
45639
|
|
|
45640
45640
|
let prevStrand;
|
|
45641
|
-
let bCd19 =
|
|
45641
|
+
let bCd19 = refpdbnameArray.length == 1 && refpdbnameArray[0] == 'CD19_6al5A_human_C2orV-n1';
|
|
45642
45642
|
for(let i = 0, il = segArray.length; i < il; ++i) {
|
|
45643
45643
|
let seg = segArray[i];
|
|
45644
45644
|
let qStart = seg.q_start;
|