@datagrok/bio 2.4.42 → 2.4.44

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.
Files changed (8) hide show
  1. package/dist/package-test.js +1 -1
  2. package/dist/package-test.js.map +1 -1
  3. package/dist/package.js +1 -1
  4. package/dist/package.js.map +1 -1
  5. package/files/data/sample_HELM_empty_vals.csv +10 -10
  6. package/files/samples/sample_HELM.csv +9 -9
  7. package/package.json +2 -2
  8. package/src/utils/multiple-sequence-alignment-ui.ts +0 -4
package/files/data/sample_HELM_empty_vals.csv CHANGED
@@ -67,7 +67,7 @@ PEPTIDE1{meI.Pip.dK.Thr_PO3H2.pnT.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Cys_SEt.N.D-Orn.D
67
67
  PEPTIDE1{meI.D-2Thi.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Thr_PO3H2.N.D-Orn.D-aThr.Phe_4Me}$$$$,5.49809
68
68
  PEPTIDE1{meI.dE.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.D-Thz.N.D-Orn.D-aThr.Phe_4Me}$$$$,6.53041
69
69
  PEPTIDE1{meI.D-Hyp.N.T.dK.Thr_PO3H2.Trp_Ome.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.D-Orn.D-aThr.Phe_4Me}$$$$,3.07080
70
- "PEPTIDE1{meI.Pip.dK.Thr_PO3H2.L-hArg(Et,Et).D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.D-Orn.D-aThr.Phe_4Me}$$$$",4.44629
70
+ "PEPTIDE1{meI.Pip.dK.Thr_PO3H2.[L-hArg(Et,Et)].D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.D-Orn.D-aThr.Phe_4Me}$$$$",4.44629
71
71
  PEPTIDE1{meI.T.dK.Thr_PO3H2.D-Thz.D-Tyr_Et.Tyr_ab-dehydroMe.dV.D-Thz.N.D-Orn.xiHyp.Phe_4Me}$$$$,6.32360
72
72
  PEPTIDE1{meI.1Nal.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Thr_PO3H2.N.D-Orn.D-aThr.Phe_4Me}$$$$,5.90846
73
73
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Phe_4Sdihydroorotamido.dV.E.N.dV.Phe_4Me}$$$$,2.47020
@@ -186,8 +186,8 @@ PEPTIDE1{meI.Aca.N.T.meV.Thr_PO3H2.Aca.seC.Tyr_ab-dehydroMe.dV.Thr_PO3H2.N.D-Orn
186
186
  PEPTIDE1{meI.Aca.Cys_SEt.T.meV.Thr_PO3H2.Aca.Tyr_PO3H2.Tyr_ab-dehydroMe.dV.Thr_PO3H2.N.D-Orn.D-aThr.Phe_4Me}$$$$,7.10947
187
187
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Bmt.Tyr_ab-dehydroMe.dV.E.N.pnG.Phe_4Me}$$$$,1.82444
188
188
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.Sta_3S4S.Tyr_ab-dehydroMe.dV.E.N.pnG.Phe_4Me}$$$$,1.77812
189
- "PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.L-hArg(Et,Et).aMePhe.Phe_4Me}$$$$",3.68767
190
- "PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.L-hArg(Et,Et).aMePhe.Phe_4Me}$$$$",3.88535
189
+ "PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.[L-hArg(Et,Et)].aMePhe.Phe_4Me}$$$$",3.68767
190
+ "PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.[L-hArg(Et,Et)].aMePhe.Phe_4Me}$$$$",3.88535
191
191
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.NMe2Abz.Phe_4Me}$$$$,6.58770
192
192
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.D-Nle.Phe_4Me}$$$$,1.90002
193
193
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.NMe2Abz.Phe_4Me}$$$$,4.77066
@@ -228,16 +228,16 @@ PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.
228
228
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.Thr_PO3H2.aIle.Phe_4Me}$$$$,3.33894
229
229
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.Thr_PO3H2.aIle.Phe_4Me}$$$$,1.65063
230
230
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.Phe_4Sdihydroorotamido.aIle.Phe_4Me}$$$$,2.65963
231
- "PEPTIDE1{meI.Aca.N.T.dK.Aca.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.Phe_2F.Thr_PO3H2.N.L-hArg(Et,Et).aIle.Phe_4Me}$$$$",3.08747
231
+ "PEPTIDE1{meI.Aca.N.T.dK.Aca.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.Phe_2F.Thr_PO3H2.N.[L-hArg(Et,Et)].aIle.Phe_4Me}$$$$",3.08747
232
232
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Bmt.E.N.dV.Phe_4Me}$$$$,2.47859
233
233
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.Phe_4Br.aIle.Phe_4Me}$$$$,1.64943
234
234
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Bmt.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.meN.E.N.dV.Phe_4Me}$$$$,1.78684
235
- "PEPTIDE1{meI.Aca.N.T.dK.Bmt.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.L-hArg(Et,Et).aIle.Phe_4Me}$$$$",1.64537
235
+ "PEPTIDE1{meI.Aca.N.T.dK.Bmt.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.[L-hArg(Et,Et)].aIle.Phe_4Me}$$$$",1.64537
236
236
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.H.meF}$$$$,5.98851
237
237
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.H.Phe_4Me}$$$$,4.63562
238
238
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.meN.E.N.Wil.D-aThr.Phe_4Me}$$$$,4.03158
239
239
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.NMe2Abz.Phe_4Br.Phe_4Me}$$$$,2.82505
240
- "PEPTIDE1{meI.Aca.N.T.dK.NMebAla.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.L-hArg(Et,Et).aIle.Phe_4Me}$$$$",3.91273
240
+ "PEPTIDE1{meI.Aca.N.T.dK.NMebAla.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.[L-hArg(Et,Et)].aIle.Phe_4Me}$$$$",3.91273
241
241
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.meN.E.N.dV.meF}$$$$,4.68059
242
242
  PEPTIDE1{D-Phg.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.pnG.Phe_4Me}$$$$,3.68825
243
243
  PEPTIDE1{D-Phg.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.pnG.Phe_4Me}$$$$,2.91926
@@ -264,7 +264,7 @@ PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.H.P.
264
264
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.meN.E.N.dV.Phe_4Br.Phe_4Me}$$$$,5.14651
265
265
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.dV.Phe_4Br.Phe_4Me}$$$$,1.91246
266
266
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.NMe2Abz.Phe_4Br.Phe_4Me}$$$$,1.51989
267
- "PEPTIDE1{meI.Aca.N.T.dK.Y.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.L-hArg(Et,Et).aIle.Phe_4Me}$$$$",3.00778
267
+ "PEPTIDE1{meI.Aca.N.T.dK.Y.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.[L-hArg(Et,Et)].aIle.Phe_4Me}$$$$",3.00778
268
268
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.H.Phe_4Br.Phe_4Me}$$$$,6.52448
269
269
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.aThr.aIle.Phe_4Me}$$$$,2.28325
270
270
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.Abu.aIle.Phe_4Me}$$$$,3.19869
@@ -272,7 +272,7 @@ PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.
272
272
  PEPTIDE1{aThr.hHis.Hcy.Q.T.W.Q.Phe_4NH2.Pqa.Tyr_ab-dehydroMe.dV.E.N.dV.Phe_4Me}$$$$,3.64898
273
273
  PEPTIDE1{hHis.Hcy.Q.T.W.Q.Phe_4NH2.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.dV.Phe_4Me}$$$$,4.52096
274
274
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Aca.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.Phe_2F.E.N.Phe_4Sdihydroorotamido.aIle.Phe_4Me}$$$$,3.57961
275
- "PEPTIDE1{meI.hHis.Aca.N.T.dK.Aca.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.Phe_2F.E.N.L-hArg(Et,Et).aIle.Phe_4Me}$$$$",2.57664
275
+ "PEPTIDE1{meI.hHis.Aca.N.T.dK.Aca.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.Phe_2F.E.N.[L-hArg(Et,Et)].aIle.Phe_4Me}$$$$",2.57664
276
276
  PEPTIDE1{4Pal.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.pnG.Phe_4Me}$$$$,2.82918
277
277
  PEPTIDE1{Phe_4Sdihydroorotamido.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.pnG.Phe_4Me}$$$$,2.62389
278
278
  PEPTIDE1{Phe_4Sdihydroorotamido.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.pnG.Phe_4Me}$$$$,2.61653
@@ -518,7 +518,7 @@ PEPTIDE1{D-Hyp.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me
518
518
  PEPTIDE1{hPhe.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$,3.14182
519
519
  PEPTIDE1{D-Cha.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$,3.51577
520
520
  PEPTIDE1{D-Cit.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$,4.51122
521
- "PEPTIDE1{L-hArg(Et,Et).hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$",1.71900
521
+ "PEPTIDE1{[L-hArg(Et,Et)].hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$",1.71900
522
522
  PEPTIDE1{D-Pip.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$,3.28024
523
523
  PEPTIDE1{meI.hHis.Phe_4NH2.Q.T.W.Q.A.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Aca.N.dV.Phe_4Me}$$$$,3.43997
524
524
  PEPTIDE1{aThr.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Q.N.dV.Phe_4Me}$$$$,3.87007
@@ -538,4 +538,4 @@ PEPTIDE1{aThr.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Q.N.N.Phe_4Me}$$
538
538
  PEPTIDE1{meI.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$,1.32725
539
539
  PEPTIDE1{meI.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Thr_PO3H2.Phe_4Me}$$$$,2.25061
540
540
  PEPTIDE1{meI.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.dV.Phe_4Me}$$$$,4.24268
541
- PEPTIDE1{meI.hHis.Hcy.Q.T.W.Q.Phe_4NH2.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.N.meK}$$$$,2.93796
541
+ PEPTIDE1{meI.hHis.Hcy.Q.T.W.Q.Phe_4NH2.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.N.meK}$$$$,2.93796
package/files/samples/sample_HELM.csv CHANGED
@@ -67,7 +67,7 @@ PEPTIDE1{meI.Pip.dK.Thr_PO3H2.pnT.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Cys_SEt.N.D-Orn.D
67
67
  PEPTIDE1{meI.D-2Thi.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Thr_PO3H2.N.D-Orn.D-aThr.Phe_4Me}$$$$,5.498092811954772
68
68
  PEPTIDE1{meI.dE.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.D-Thz.N.D-Orn.D-aThr.Phe_4Me}$$$$,6.530409397097947
69
69
  PEPTIDE1{meI.D-Hyp.N.T.dK.Thr_PO3H2.Trp_Ome.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.D-Orn.D-aThr.Phe_4Me}$$$$,3.0707953636156904
70
- "PEPTIDE1{meI.Pip.dK.Thr_PO3H2.L-hArg(Et,Et).D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.D-Orn.D-aThr.Phe_4Me}$$$$",4.446288741243438
70
+ "PEPTIDE1{meI.Pip.dK.Thr_PO3H2.[L-hArg(Et,Et)].D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.D-Orn.D-aThr.Phe_4Me}$$$$",4.446288741243438
71
71
  PEPTIDE1{meI.T.dK.Thr_PO3H2.D-Thz.D-Tyr_Et.Tyr_ab-dehydroMe.dV.D-Thz.N.D-Orn.xiHyp.Phe_4Me}$$$$,6.323600736629789
72
72
  PEPTIDE1{meI.1Nal.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Thr_PO3H2.N.D-Orn.D-aThr.Phe_4Me}$$$$,5.908457627999418
73
73
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Phe_4Sdihydroorotamido.dV.E.N.dV.Phe_4Me}$$$$,2.470202136498731
@@ -186,8 +186,8 @@ PEPTIDE1{meI.Aca.N.T.meV.Thr_PO3H2.Aca.seC.Tyr_ab-dehydroMe.dV.Thr_PO3H2.N.D-Orn
186
186
  PEPTIDE1{meI.Aca.Cys_SEt.T.meV.Thr_PO3H2.Aca.Tyr_PO3H2.Tyr_ab-dehydroMe.dV.Thr_PO3H2.N.D-Orn.D-aThr.Phe_4Me}$$$$,7.109470365722368
187
187
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Bmt.Tyr_ab-dehydroMe.dV.E.N.pnG.Phe_4Me}$$$$,1.8244375314899504
188
188
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.Sta_3S4S.Tyr_ab-dehydroMe.dV.E.N.pnG.Phe_4Me}$$$$,1.7781172584274643
189
- "PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.L-hArg(Et,Et).aMePhe.Phe_4Me}$$$$",3.6876680890303573
190
- "PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.L-hArg(Et,Et).aMePhe.Phe_4Me}$$$$",3.885351901433885
189
+ "PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.[L-hArg(Et,Et)].aMePhe.Phe_4Me}$$$$",3.6876680890303573
190
+ "PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.[L-hArg(Et,Et)].aMePhe.Phe_4Me}$$$$",3.885351901433885
191
191
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.NMe2Abz.Phe_4Me}$$$$,6.587703329147981
192
192
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.D-Nle.Phe_4Me}$$$$,1.9000245681406613
193
193
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.NMe2Abz.Phe_4Me}$$$$,4.770661284446072
@@ -228,16 +228,16 @@ PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.
228
228
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.Thr_PO3H2.aIle.Phe_4Me}$$$$,3.3389403645983493
229
229
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.Thr_PO3H2.aIle.Phe_4Me}$$$$,1.6506289932771743
230
230
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.Phe_4Sdihydroorotamido.aIle.Phe_4Me}$$$$,2.659629204495798
231
- "PEPTIDE1{meI.Aca.N.T.dK.Aca.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.Phe_2F.Thr_PO3H2.N.L-hArg(Et,Et).aIle.Phe_4Me}$$$$",3.087473757566119
231
+ "PEPTIDE1{meI.Aca.N.T.dK.Aca.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.Phe_2F.Thr_PO3H2.N.[L-hArg(Et,Et)].aIle.Phe_4Me}$$$$",3.087473757566119
232
232
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Bmt.E.N.dV.Phe_4Me}$$$$,2.478589999479269
233
233
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.Phe_4Br.aIle.Phe_4Me}$$$$,1.6494256005133707
234
234
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Bmt.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.meN.E.N.dV.Phe_4Me}$$$$,1.78684326935583
235
- "PEPTIDE1{meI.Aca.N.T.dK.Bmt.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.L-hArg(Et,Et).aIle.Phe_4Me}$$$$",1.6453684524431091
235
+ "PEPTIDE1{meI.Aca.N.T.dK.Bmt.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.[L-hArg(Et,Et)].aIle.Phe_4Me}$$$$",1.6453684524431091
236
236
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.H.meF}$$$$,5.988508994120261
237
237
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.H.Phe_4Me}$$$$,4.635621184071095
238
238
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.meN.E.N.Wil.D-aThr.Phe_4Me}$$$$,4.0315803729988104
239
239
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.NMe2Abz.Phe_4Br.Phe_4Me}$$$$,2.8250500411654027
240
- "PEPTIDE1{meI.Aca.N.T.dK.NMebAla.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.L-hArg(Et,Et).aIle.Phe_4Me}$$$$",3.9127323843184634
240
+ "PEPTIDE1{meI.Aca.N.T.dK.NMebAla.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.[L-hArg(Et,Et)].aIle.Phe_4Me}$$$$",3.9127323843184634
241
241
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.meN.E.N.dV.meF}$$$$,4.6805888900858905
242
242
  PEPTIDE1{D-Phg.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.pnG.Phe_4Me}$$$$,3.6882506732559195
243
243
  PEPTIDE1{D-Phg.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.pnG.Phe_4Me}$$$$,2.9192556721175547
@@ -264,7 +264,7 @@ PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.H.P.
264
264
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.meN.E.N.dV.Phe_4Br.Phe_4Me}$$$$,5.146512682388665
265
265
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.dV.Phe_4Br.Phe_4Me}$$$$,1.9124580115395204
266
266
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.NMe2Abz.Phe_4Br.Phe_4Me}$$$$,1.5198888206477554
267
- "PEPTIDE1{meI.Aca.N.T.dK.Y.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.L-hArg(Et,Et).aIle.Phe_4Me}$$$$",3.00777986470196
267
+ "PEPTIDE1{meI.Aca.N.T.dK.Y.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.[L-hArg(Et,Et)].aIle.Phe_4Me}$$$$",3.00777986470196
268
268
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.H.Phe_4Br.Phe_4Me}$$$$,6.524477880041829
269
269
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.aThr.aIle.Phe_4Me}$$$$,2.283252227152765
270
270
  PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.Abu.aIle.Phe_4Me}$$$$,3.198688180483653
@@ -272,7 +272,7 @@ PEPTIDE1{meI.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.
272
272
  PEPTIDE1{aThr.hHis.Hcy.Q.T.W.Q.Phe_4NH2.Pqa.Tyr_ab-dehydroMe.dV.E.N.dV.Phe_4Me}$$$$,3.648982655817461
273
273
  PEPTIDE1{hHis.Hcy.Q.T.W.Q.Phe_4NH2.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.dV.Phe_4Me}$$$$,4.520962030409236
274
274
  PEPTIDE1{meI.hHis.Aca.N.T.dK.Aca.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.Phe_2F.E.N.Phe_4Sdihydroorotamido.aIle.Phe_4Me}$$$$,3.5796109982815167
275
- "PEPTIDE1{meI.hHis.Aca.N.T.dK.Aca.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.Phe_2F.E.N.L-hArg(Et,Et).aIle.Phe_4Me}$$$$",2.5766403379072265
275
+ "PEPTIDE1{meI.hHis.Aca.N.T.dK.Aca.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.Phe_2F.E.N.[L-hArg(Et,Et)].aIle.Phe_4Me}$$$$",2.5766403379072265
276
276
  PEPTIDE1{4Pal.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.pnG.Phe_4Me}$$$$,2.8291809080348127
277
277
  PEPTIDE1{Phe_4Sdihydroorotamido.hHis.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.pnG.Phe_4Me}$$$$,2.6238859059178843
278
278
  PEPTIDE1{Phe_4Sdihydroorotamido.Aca.N.T.dK.Thr_PO3H2.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.D-Dap.Thr_PO3H2.N.pnG.Phe_4Me}$$$$,2.6165284113368177
@@ -518,7 +518,7 @@ PEPTIDE1{D-Hyp.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me
518
518
  PEPTIDE1{hPhe.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$,3.1418194571114264
519
519
  PEPTIDE1{D-Cha.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$,3.515774844415832
520
520
  PEPTIDE1{D-Cit.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$,4.511219910644476
521
- "PEPTIDE1{L-hArg(Et,Et).hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$",1.718996048903543
521
+ "PEPTIDE1{[L-hArg(Et,Et)].hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$",1.718996048903543
522
522
  PEPTIDE1{D-Pip.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.E.N.Bmt.Phe_4Me}$$$$,3.280243278344309
523
523
  PEPTIDE1{meI.hHis.Phe_4NH2.Q.T.W.Q.A.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Aca.N.dV.Phe_4Me}$$$$,3.439973801104992
524
524
  PEPTIDE1{aThr.hHis.Aca.Q.T.W.Q.Aca.D-Tyr_Et.Tyr_ab-dehydroMe.dV.Q.N.dV.Phe_4Me}$$$$,3.870066006558282
package/package.json CHANGED
@@ -5,7 +5,7 @@
5
5
  "name": "Leonid Stolbov",
6
6
  "email": "lstolbov@datagrok.ai"
7
7
  },
8
- "version": "2.4.42",
8
+ "version": "2.4.44",
9
9
  "description": "Bioinformatics support (import/export of sequences, conversion, visualization, analysis). [See more](https://github.com/datagrok-ai/public/blob/master/packages/Bio/README.md) for details.",
10
10
  "repository": {
11
11
  "type": "git",
@@ -14,7 +14,7 @@
14
14
  },
15
15
  "dependencies": {
16
16
  "@biowasm/aioli": "^3.1.0",
17
- "@datagrok-libraries/bio": "^5.32.2",
17
+ "@datagrok-libraries/bio": "^5.32.3",
18
18
  "@datagrok-libraries/chem-meta": "^1.0.1",
19
19
  "@datagrok-libraries/ml": "^6.3.39",
20
20
  "@datagrok-libraries/tutorials": "^1.3.2",
package/src/utils/multiple-sequence-alignment-ui.ts CHANGED
@@ -167,10 +167,6 @@ async function onColInputChange(
167
167
  } else if (checkInputColumnUI(col, col.name, [NOTATION.SEPARATOR], [ALPHABET.UN], false)) {
168
168
  //if the column is separator with unknown alphabet, it might be helm. check if it can be converted to helm
169
169
  const potentialColNC = new NotationConverter(col);
170
- if (!await potentialColNC.checkHelmCompatibility()) {
171
- switchDialog(pepseaInputRootStyles, kalignInputRootStyles, 'pepsea');
172
- return;
173
- }
174
170
  const helmCol = potentialColNC.convert(NOTATION.HELM);
175
171
  switchDialog(pepseaInputRootStyles, kalignInputRootStyles, 'pepsea');
176
172
  gapOpenInput.value ??= msaDefaultOptions.pepsea.gapOpen;