@datagrok/bio 2.22.10 → 2.22.11

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 (9) hide show
  1. package/dist/package-test.js +1 -1
  2. package/dist/package-test.js.map +1 -1
  3. package/dist/package.js.map +1 -1
  4. package/files/monomer-libraries/polytool-lib.json +227 -1
  5. package/package.json +2 -2
  6. package/src/package.g.ts +1 -1
  7. package/src/utils/monomer-lib/consts.ts +1 -1
  8. package/test-console-output-1.log +407 -406
  9. package/test-record-1.mp4 +0 -0
package/files/monomer-libraries/polytool-lib.json CHANGED
@@ -96,5 +96,231 @@
96
96
  "id": "0",
97
97
  "polymerType": "PEPTIDE",
98
98
  "symbol": "azG"
99
+ },
100
+ {
101
+ "symbol": "DRR1",
102
+ "name": "Ethilenil Glycine",
103
+ "molfile": "\n RDKit 2D\n\n 8 7 0 0 0 0 0 0 0 0999 V2000\n 2.5981 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2990 1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5981 0.5625 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2990 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -1.6875 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 3 4 1 0\n 4 5 1 0\n 3 6 1 0\n 6 7 2 0\n 6 8 1 0\nM RGP 2 5 1 8 2\nM END\n",
104
+ "smiles": "C=CC(N[*:1])C(=O)[*:2]",
105
+ "polymerType": "PEPTIDE",
106
+ "monomerType": "Backbone",
107
+ "naturalAnalog": "A",
108
+ "id": 0,
109
+ "rgroups": [
110
+ {
111
+ "alternateId": "R1-H",
112
+ "capGroupName": "H",
113
+ "capGroupSMILES": "[*:1][H]",
114
+ "label": "R1"
115
+ },
116
+ {
117
+ "alternateId": "R2-OH",
118
+ "capGroupName": "OH",
119
+ "capGroupSMILES": "O[*:2]",
120
+ "label": "R2"
121
+ }
122
+ ],
123
+ "author": "Admin",
124
+ "createDate": "2025-09-02T19:03:15.744Z",
125
+ "meta": {}
126
+ },
127
+ {
128
+ "symbol": "DRR2",
129
+ "name": "Alino Glycine",
130
+ "molfile": "\n RDKit 2D\n\n 11 10 0 0 0 0 0 0 0 0999 V2000\n 5.0781 1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7790 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4800 1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1809 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1181 1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4171 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7162 1.0227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0152 0.2727 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4171 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7162 -1.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1181 -1.9773 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 3 4 2 3\n 4 5 1 0\n 5 6 1 0\n 6 7 1 0\n 7 8 1 0\n 6 9 1 0\n 9 10 2 0\n 9 11 1 0\nM RGP 2 8 1 11 2\nM END\n",
131
+ "smiles": "C=CC=CCC(N[*:1])C(=O)[*:2]",
132
+ "polymerType": "PEPTIDE",
133
+ "monomerType": "Backbone",
134
+ "naturalAnalog": "S",
135
+ "id": 0,
136
+ "rgroups": [
137
+ {
138
+ "alternateId": "R1-H",
139
+ "capGroupName": "H",
140
+ "capGroupSMILES": "[*:1][H]",
141
+ "label": "R1"
142
+ },
143
+ {
144
+ "alternateId": "R2-OH",
145
+ "capGroupName": "OH",
146
+ "capGroupSMILES": "O[*:2]",
147
+ "label": "R2"
148
+ }
149
+ ],
150
+ "author": "Admin",
151
+ "createDate": "2025-09-02T19:06:18.398Z",
152
+ "meta": {}
153
+ },
154
+ {
155
+ "symbol": "ODAR1",
156
+ "name": "Oxiethilenil Glycine",
157
+ "molfile": "\n RDKit 2D\n\n 11 10 0 0 0 0 0 0 0 0999 V2000\n 4.1333 0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8343 1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5352 0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5352 -1.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2362 1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0628 0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3619 1.2273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6609 0.4773 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0628 -1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3619 -1.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2362 -1.7727 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 3 4 2 0\n 3 5 1 0\n 5 6 1 0\n 6 7 1 0\n 7 8 1 0\n 6 9 1 0\n 9 10 2 0\n 9 11 1 0\nM RGP 2 8 1 11 2\nM END\n",
158
+ "smiles": "C=CC(=O)CC(N[*:1])C(=O)[*:2]",
159
+ "polymerType": "PEPTIDE",
160
+ "monomerType": "Backbone",
161
+ "naturalAnalog": "D",
162
+ "id": 0,
163
+ "rgroups": [
164
+ {
165
+ "alternateId": "R1-H",
166
+ "capGroupName": "H",
167
+ "capGroupSMILES": "[*:1][H]",
168
+ "label": "R1"
169
+ },
170
+ {
171
+ "alternateId": "R2-OH",
172
+ "capGroupName": "OH",
173
+ "capGroupSMILES": "O[*:2]",
174
+ "label": "R2"
175
+ }
176
+ ],
177
+ "author": "Admin",
178
+ "createDate": "2025-09-02T22:46:35.012Z",
179
+ "meta": {}
180
+ },
181
+ {
182
+ "symbol": "ODAR2",
183
+ "name": "Ethilenil Glycine",
184
+ "molfile": "\n RDKit 2D\n\n 8 7 0 0 0 0 0 0 0 0999 V2000\n 2.5981 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2990 1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5981 0.5625 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2990 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -1.6875 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 3 4 1 0\n 4 5 1 0\n 3 6 1 0\n 6 7 2 0\n 6 8 1 0\nM RGP 2 5 1 8 2\nM END\n",
185
+ "smiles": "C=CC(N[*:1])C(=O)[*:2]",
186
+ "polymerType": "PEPTIDE",
187
+ "monomerType": "Backbone",
188
+ "naturalAnalog": "A",
189
+ "id": 0,
190
+ "rgroups": [
191
+ {
192
+ "alternateId": "R1-H",
193
+ "capGroupName": "H",
194
+ "capGroupSMILES": "[*:1][H]",
195
+ "label": "R1"
196
+ },
197
+ {
198
+ "alternateId": "R2-OH",
199
+ "capGroupName": "OH",
200
+ "capGroupSMILES": "O[*:2]",
201
+ "label": "R2"
202
+ }
203
+ ],
204
+ "author": "Admin",
205
+ "createDate": "2025-09-02T22:47:19.803Z",
206
+ "meta": {}
207
+ },
208
+ {
209
+ "symbol": "PHAR1",
210
+ "name": "Propylenil Glycine",
211
+ "molfile": "\n RDKit 2D\n\n 9 8 0 0 0 0 0 0 0 0999 V2000\n 3.4641 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1651 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8660 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4330 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7321 1.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0311 0.4167 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4330 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7321 -1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8660 -1.8333 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 3 4 1 0\n 4 5 1 0\n 5 6 1 0\n 4 7 1 0\n 7 8 2 0\n 7 9 1 0\nM RGP 2 6 1 9 2\nM END\n",
212
+ "smiles": "C=CCC(N[*:1])C(=O)[*:2]",
213
+ "polymerType": "PEPTIDE",
214
+ "monomerType": "Backbone",
215
+ "naturalAnalog": "S",
216
+ "id": 0,
217
+ "rgroups": [
218
+ {
219
+ "alternateId": "R1-H",
220
+ "capGroupName": "H",
221
+ "capGroupSMILES": "[*:1][H]",
222
+ "label": "R1"
223
+ },
224
+ {
225
+ "alternateId": "R2-OH",
226
+ "capGroupName": "OH",
227
+ "capGroupSMILES": "O[*:2]",
228
+ "label": "R2"
229
+ }
230
+ ],
231
+ "author": "Admin",
232
+ "createDate": "2025-09-02T22:49:15.303Z",
233
+ "meta": {}
234
+ },
235
+ {
236
+ "symbol": "PHAR2",
237
+ "name": "PHAR2",
238
+ "molfile": "\n RDKit 2D\n\n 11 10 0 0 0 0 0 0 0 0999 V2000\n 2.1257 -2.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8267 -1.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8267 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1257 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4247 -0.2045 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4724 0.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4724 2.0455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7714 2.7955 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7714 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0705 0.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7714 -1.7045 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0\n 2 3 1 0\n 3 4 1 0\n 4 5 1 0\n 3 6 1 0\n 6 7 1 0\n 7 8 1 0\n 6 9 1 0\n 9 10 2 0\n 9 11 1 0\nM RGP 2 8 1 11 2\nM END\n",
239
+ "smiles": "C=CC(CS)C(N[*:1])C(=O)[*:2]",
240
+ "polymerType": "PEPTIDE",
241
+ "monomerType": "Backbone",
242
+ "naturalAnalog": "C",
243
+ "id": 0,
244
+ "rgroups": [
245
+ {
246
+ "alternateId": "R1-H",
247
+ "capGroupName": "H",
248
+ "capGroupSMILES": "[*:1][H]",
249
+ "label": "R1"
250
+ },
251
+ {
252
+ "alternateId": "R2-OH",
253
+ "capGroupName": "OH",
254
+ "capGroupSMILES": "O[*:2]",
255
+ "label": "R2"
256
+ }
257
+ ],
258
+ "author": "Admin",
259
+ "createDate": "2025-09-02T22:50:11.922Z",
260
+ "meta": {}
261
+ },
262
+ {
263
+ "symbol": "THA",
264
+ "name": "Trihexilamine",
265
+ "molfile": "\n RDKit 2D\n\n 22 21 0 0 0 0 0 0 0 0999 V2000\n -4.6057 -1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.9047 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.2038 -1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.5028 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -9.8018 -1.9773 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3066 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0076 -1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7086 -1.2273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5905 -1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8895 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1885 -1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4876 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7866 -1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0857 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3847 -1.9773 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7086 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5905 1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5905 2.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8895 3.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8895 4.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1885 5.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1885 7.0227 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 1 0\n 3 4 1 0\n 4 5 1 0\n 1 6 1 0\n 6 7 1 0\n 7 8 1 0\n 8 9 1 0\n 9 10 1 0\n 10 11 1 0\n 11 12 1 0\n 12 13 1 0\n 13 14 1 0\n 14 15 1 0\n 8 16 1 0\n 16 17 1 0\n 17 18 1 0\n 18 19 1 0\n 19 20 1 0\n 20 21 1 0\n 21 22 1 0\nM RGP 3 5 1 15 2 22 3\nM END\n",
266
+ "smiles": "C(CCC[*:1])CCN(CCCCCC[*:2])CCCCCC[*:3]",
267
+ "polymerType": "PEPTIDE",
268
+ "monomerType": "Backbone",
269
+ "id": 0,
270
+ "rgroups": [
271
+ {
272
+ "capGroupSMILES": "[*:1][H]",
273
+ "alternateId": "R1-H",
274
+ "capGroupName": "H",
275
+ "label": "R1"
276
+ },
277
+ {
278
+ "capGroupSMILES": "[*:2][H]",
279
+ "alternateId": "R2-H",
280
+ "capGroupName": "H",
281
+ "label": "R2"
282
+ },
283
+ {
284
+ "capGroupSMILES": "[*:3][H]",
285
+ "alternateId": "R3-H",
286
+ "capGroupName": "H",
287
+ "label": "R3"
288
+ }
289
+ ],
290
+ "author": "Admin",
291
+ "createDate": "2025-09-02T23:15:21.760Z",
292
+ "meta": {}
293
+ },
294
+ {
295
+ "symbol": "MG3",
296
+ "name": "MG3",
297
+ "molfile": "\n RDKit 2D\n\n 22 21 0 0 0 0 0 0 0 0999 V2000\n 4.4876 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1885 -1.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8895 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5905 -1.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7086 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0076 -1.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3066 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6057 -1.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -5.9047 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.2038 -1.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -8.5028 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -9.8018 -1.9773 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7086 0.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5905 1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5905 2.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8895 3.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8895 4.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1885 5.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1885 7.0227 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7866 -1.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0857 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3847 -1.9773 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 1 0\n 3 4 1 0\n 4 5 1 0\n 5 6 1 0\n 6 7 1 0\n 7 8 1 0\n 8 9 1 0\n 9 10 1 0\n 10 11 1 0\n 11 12 1 0\n 5 13 1 0\n 13 14 1 0\n 14 15 1 0\n 15 16 1 0\n 16 17 1 0\n 17 18 1 0\n 18 19 1 0\n 1 20 1 0\n 20 21 1 0\n 21 22 1 0\nM RGP 3 12 2 19 3 22 1\nM END\n",
298
+ "smiles": "C(OCOC(OCOCOC[*:2])OCOCOC[*:3])OC[*:1]",
299
+ "polymerType": "PEPTIDE",
300
+ "monomerType": "Backbone",
301
+ "id": 0,
302
+ "rgroups": [
303
+ {
304
+ "capGroupSMILES": "[*:1][H]",
305
+ "alternateId": "R1-H",
306
+ "capGroupName": "H",
307
+ "label": "R1"
308
+ },
309
+ {
310
+ "capGroupSMILES": "[*:2][H]",
311
+ "alternateId": "R2-H",
312
+ "capGroupName": "H",
313
+ "label": "R2"
314
+ },
315
+ {
316
+ "capGroupSMILES": "[*:3][H]",
317
+ "alternateId": "R3-H",
318
+ "capGroupName": "H",
319
+ "label": "R3"
320
+ }
321
+ ],
322
+ "author": "Admin",
323
+ "createDate": "2025-09-02T23:18:56.405Z",
324
+ "meta": {}
99
325
  }
100
- ]
326
+ ]
package/package.json CHANGED
@@ -5,7 +5,7 @@
5
5
  "name": "Davit Rizhinashvili",
6
6
  "email": "drizhinashvili@datagrok.ai"
7
7
  },
8
- "version": "2.22.10",
8
+ "version": "2.22.11",
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",
@@ -73,7 +73,7 @@
73
73
  "@types/wu": "^2.1.44",
74
74
  "@typescript-eslint/eslint-plugin": "^8.8.1",
75
75
  "@typescript-eslint/parser": "^8.8.1",
76
- "datagrok-tools": "^4.14.47",
76
+ "datagrok-tools": "^4.14.48",
77
77
  "eslint": "^8.57.1",
78
78
  "eslint-config-google": "^0.14.0",
79
79
  "eslint-plugin-rxjs": "^5.0.3",
package/src/package.g.ts CHANGED
@@ -561,7 +561,7 @@ export async function sdfToJsonLib(table: DG.DataFrame) : Promise<void> {
561
561
  //description: Converts a `Macromolecule` sequence to its atomic level `Molecule` representation
562
562
  //input: string seq { semType: Macromolecule }
563
563
  //input: bool nonlinear
564
- //output: string molfile { }
564
+ //output: string molfile { semType: Molecule }
565
565
  //friendlyName: seq2atomic
566
566
  export async function seq2atomic(seq: string, nonlinear: boolean) : Promise<any> {
567
567
  return await PackageFunctions.seq2atomic(seq, nonlinear);
package/src/utils/monomer-lib/consts.ts CHANGED
@@ -14,5 +14,5 @@ export const LIB_SETTINGS_FOR_TESTS: UserLibSettings =
14
14
  {explicit: ['HELMCoreLibrary.json', 'polytool-lib.json'], exclude: [], duplicateMonomerPreferences: {}};
15
15
 
16
16
  /** Summary for settings {@link LIB_SETTINGS_FOR_TESTS} */
17
- export const monomerLibForTestsSummary: MonomerLibSummaryType = {'PEPTIDE': 326, 'RNA': 383, 'CHEM': 0};
17
+ export const monomerLibForTestsSummary: MonomerLibSummaryType = {'PEPTIDE': 334, 'RNA': 383, 'CHEM': 0};
18
18