boltz-api 0.39.2 → 0.40.0
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/CHANGELOG.md +16 -0
- package/package.json +1 -1
- package/resources/predictions/structure-and-binding.d.mts +108 -16
- package/resources/predictions/structure-and-binding.d.mts.map +1 -1
- package/resources/predictions/structure-and-binding.d.ts +108 -16
- package/resources/predictions/structure-and-binding.d.ts.map +1 -1
- package/resources/protein/design.d.mts +382 -44
- package/resources/protein/design.d.mts.map +1 -1
- package/resources/protein/design.d.ts +382 -44
- package/resources/protein/design.d.ts.map +1 -1
- package/resources/protein/library-screen.d.mts +216 -32
- package/resources/protein/library-screen.d.mts.map +1 -1
- package/resources/protein/library-screen.d.ts +216 -32
- package/resources/protein/library-screen.d.ts.map +1 -1
- package/resources/small-molecule/design.d.mts +85 -10
- package/resources/small-molecule/design.d.mts.map +1 -1
- package/resources/small-molecule/design.d.ts +85 -10
- package/resources/small-molecule/design.d.ts.map +1 -1
- package/resources/small-molecule/library-screen.d.mts +45 -10
- package/resources/small-molecule/library-screen.d.mts.map +1 -1
- package/resources/small-molecule/library-screen.d.ts +45 -10
- package/resources/small-molecule/library-screen.d.ts.map +1 -1
- package/src/resources/predictions/structure-and-binding.ts +108 -16
- package/src/resources/protein/design.ts +390 -44
- package/src/resources/protein/library-screen.ts +216 -32
- package/src/resources/small-molecule/design.ts +93 -10
- package/src/resources/small-molecule/library-screen.ts +45 -10
- package/src/version.ts +1 -1
- package/version.d.mts +1 -1
- package/version.d.ts +1 -1
- package/version.js +1 -1
- package/version.mjs +1 -1
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@@ -341,17 +341,24 @@ export declare namespace LibraryScreenRetrieveResponse {
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*/
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cyclic?: boolean;
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/**
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*
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* omitted.
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* CCD post-translational modifications. Optional; defaults to an empty list when
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* omitted. SMILES modifications are not supported.
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*/
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modifications?: Array<ProteinEntityResponse.Modification>;
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}
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namespace ProteinEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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/**
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* 0-based index of the residue to modify
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*/
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residue_index: number;
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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
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*/
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cyclic?: boolean;
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/**
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*
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* CCD chemical modifications. Optional; defaults to an empty list when omitted.
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* SMILES modifications are not supported.
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*/
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modifications?: Array<RnaEntityResponse.Modification>;
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}
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namespace RnaEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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/**
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* 0-based index of the residue to modify
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*/
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residue_index: number;
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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
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*/
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cyclic?: boolean;
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/**
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*
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* CCD chemical modifications. Optional; defaults to an empty list when omitted.
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* SMILES modifications are not supported.
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*/
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modifications?: Array<DnaEntityResponse.Modification>;
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}
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namespace DnaEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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/**
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* 0-based index of the residue to modify
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*/
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residue_index: number;
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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
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*/
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cyclic?: boolean;
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/**
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*
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* omitted.
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* CCD post-translational modifications. Optional; defaults to an empty list when
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* omitted. SMILES modifications are not supported.
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*/
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modifications?: Array<ProteinEntity.Modification>;
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}
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namespace ProteinEntity {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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/**
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* 0-based index of the residue to modify
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*/
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residue_index: number;
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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
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*/
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/**
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*
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* SMILES modifications are not supported.
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*/
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modifications?: Array<RnaEntity.Modification>;
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}
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namespace RnaEntity {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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* 0-based index of the residue to modify
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*/
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residue_index: number;
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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
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/**
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*/
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modifications?: Array<DnaEntity.Modification>;
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}
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namespace DnaEntity {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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*/
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interface Modification {
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*/
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residue_index: number;
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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}
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namespace ProteinEntityResponse {
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interface Modification {
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namespace RnaEntityResponse {
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interface Modification {
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namespace DnaEntityResponse {
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|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
1895
|
+
*/
|
|
1804
1896
|
type: 'ccd';
|
|
1805
1897
|
/**
|
|
1806
1898
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2103,17 +2195,24 @@ export declare namespace LibraryScreenEstimateCostParams {
|
|
|
2103
2195
|
*/
|
|
2104
2196
|
cyclic?: boolean;
|
|
2105
2197
|
/**
|
|
2106
|
-
*
|
|
2107
|
-
* omitted.
|
|
2198
|
+
* CCD post-translational modifications. Optional; defaults to an empty list when
|
|
2199
|
+
* omitted. SMILES modifications are not supported.
|
|
2108
2200
|
*/
|
|
2109
2201
|
modifications?: Array<ProteinEntity.Modification>;
|
|
2110
2202
|
}
|
|
2111
2203
|
namespace ProteinEntity {
|
|
2204
|
+
/**
|
|
2205
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2206
|
+
* are not accepted.
|
|
2207
|
+
*/
|
|
2112
2208
|
interface Modification {
|
|
2113
2209
|
/**
|
|
2114
2210
|
* 0-based index of the residue to modify
|
|
2115
2211
|
*/
|
|
2116
2212
|
residue_index: number;
|
|
2213
|
+
/**
|
|
2214
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2215
|
+
*/
|
|
2117
2216
|
type: 'ccd';
|
|
2118
2217
|
/**
|
|
2119
2218
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2137,16 +2236,24 @@ export declare namespace LibraryScreenEstimateCostParams {
|
|
|
2137
2236
|
*/
|
|
2138
2237
|
cyclic?: boolean;
|
|
2139
2238
|
/**
|
|
2140
|
-
*
|
|
2239
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2240
|
+
* SMILES modifications are not supported.
|
|
2141
2241
|
*/
|
|
2142
2242
|
modifications?: Array<RnaEntity.Modification>;
|
|
2143
2243
|
}
|
|
2144
2244
|
namespace RnaEntity {
|
|
2245
|
+
/**
|
|
2246
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2247
|
+
* are not accepted.
|
|
2248
|
+
*/
|
|
2145
2249
|
interface Modification {
|
|
2146
2250
|
/**
|
|
2147
2251
|
* 0-based index of the residue to modify
|
|
2148
2252
|
*/
|
|
2149
2253
|
residue_index: number;
|
|
2254
|
+
/**
|
|
2255
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2256
|
+
*/
|
|
2150
2257
|
type: 'ccd';
|
|
2151
2258
|
/**
|
|
2152
2259
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2170,16 +2277,24 @@ export declare namespace LibraryScreenEstimateCostParams {
|
|
|
2170
2277
|
*/
|
|
2171
2278
|
cyclic?: boolean;
|
|
2172
2279
|
/**
|
|
2173
|
-
*
|
|
2280
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2281
|
+
* SMILES modifications are not supported.
|
|
2174
2282
|
*/
|
|
2175
2283
|
modifications?: Array<DnaEntity.Modification>;
|
|
2176
2284
|
}
|
|
2177
2285
|
namespace DnaEntity {
|
|
2286
|
+
/**
|
|
2287
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2288
|
+
* are not accepted.
|
|
2289
|
+
*/
|
|
2178
2290
|
interface Modification {
|
|
2179
2291
|
/**
|
|
2180
2292
|
* 0-based index of the residue to modify
|
|
2181
2293
|
*/
|
|
2182
2294
|
residue_index: number;
|
|
2295
|
+
/**
|
|
2296
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2297
|
+
*/
|
|
2183
2298
|
type: 'ccd';
|
|
2184
2299
|
/**
|
|
2185
2300
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2341,17 +2456,24 @@ export declare namespace LibraryScreenEstimateCostParams {
|
|
|
2341
2456
|
*/
|
|
2342
2457
|
cyclic?: boolean;
|
|
2343
2458
|
/**
|
|
2344
|
-
*
|
|
2345
|
-
* omitted.
|
|
2459
|
+
* CCD post-translational modifications. Optional; defaults to an empty list when
|
|
2460
|
+
* omitted. SMILES modifications are not supported.
|
|
2346
2461
|
*/
|
|
2347
2462
|
modifications?: Array<ProteinEntity.Modification>;
|
|
2348
2463
|
}
|
|
2349
2464
|
namespace ProteinEntity {
|
|
2465
|
+
/**
|
|
2466
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2467
|
+
* are not accepted.
|
|
2468
|
+
*/
|
|
2350
2469
|
interface Modification {
|
|
2351
2470
|
/**
|
|
2352
2471
|
* 0-based index of the residue to modify
|
|
2353
2472
|
*/
|
|
2354
2473
|
residue_index: number;
|
|
2474
|
+
/**
|
|
2475
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2476
|
+
*/
|
|
2355
2477
|
type: 'ccd';
|
|
2356
2478
|
/**
|
|
2357
2479
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2375,16 +2497,24 @@ export declare namespace LibraryScreenEstimateCostParams {
|
|
|
2375
2497
|
*/
|
|
2376
2498
|
cyclic?: boolean;
|
|
2377
2499
|
/**
|
|
2378
|
-
*
|
|
2500
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2501
|
+
* SMILES modifications are not supported.
|
|
2379
2502
|
*/
|
|
2380
2503
|
modifications?: Array<RnaEntity.Modification>;
|
|
2381
2504
|
}
|
|
2382
2505
|
namespace RnaEntity {
|
|
2506
|
+
/**
|
|
2507
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2508
|
+
* are not accepted.
|
|
2509
|
+
*/
|
|
2383
2510
|
interface Modification {
|
|
2384
2511
|
/**
|
|
2385
2512
|
* 0-based index of the residue to modify
|
|
2386
2513
|
*/
|
|
2387
2514
|
residue_index: number;
|
|
2515
|
+
/**
|
|
2516
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2517
|
+
*/
|
|
2388
2518
|
type: 'ccd';
|
|
2389
2519
|
/**
|
|
2390
2520
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2408,16 +2538,24 @@ export declare namespace LibraryScreenEstimateCostParams {
|
|
|
2408
2538
|
*/
|
|
2409
2539
|
cyclic?: boolean;
|
|
2410
2540
|
/**
|
|
2411
|
-
*
|
|
2541
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2542
|
+
* SMILES modifications are not supported.
|
|
2412
2543
|
*/
|
|
2413
2544
|
modifications?: Array<DnaEntity.Modification>;
|
|
2414
2545
|
}
|
|
2415
2546
|
namespace DnaEntity {
|
|
2547
|
+
/**
|
|
2548
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2549
|
+
* are not accepted.
|
|
2550
|
+
*/
|
|
2416
2551
|
interface Modification {
|
|
2417
2552
|
/**
|
|
2418
2553
|
* 0-based index of the residue to modify
|
|
2419
2554
|
*/
|
|
2420
2555
|
residue_index: number;
|
|
2556
|
+
/**
|
|
2557
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2558
|
+
*/
|
|
2421
2559
|
type: 'ccd';
|
|
2422
2560
|
/**
|
|
2423
2561
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2693,17 +2831,24 @@ export declare namespace LibraryScreenStartParams {
|
|
|
2693
2831
|
*/
|
|
2694
2832
|
cyclic?: boolean;
|
|
2695
2833
|
/**
|
|
2696
|
-
*
|
|
2697
|
-
* omitted.
|
|
2834
|
+
* CCD post-translational modifications. Optional; defaults to an empty list when
|
|
2835
|
+
* omitted. SMILES modifications are not supported.
|
|
2698
2836
|
*/
|
|
2699
2837
|
modifications?: Array<ProteinEntity.Modification>;
|
|
2700
2838
|
}
|
|
2701
2839
|
namespace ProteinEntity {
|
|
2840
|
+
/**
|
|
2841
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2842
|
+
* are not accepted.
|
|
2843
|
+
*/
|
|
2702
2844
|
interface Modification {
|
|
2703
2845
|
/**
|
|
2704
2846
|
* 0-based index of the residue to modify
|
|
2705
2847
|
*/
|
|
2706
2848
|
residue_index: number;
|
|
2849
|
+
/**
|
|
2850
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2851
|
+
*/
|
|
2707
2852
|
type: 'ccd';
|
|
2708
2853
|
/**
|
|
2709
2854
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2727,16 +2872,24 @@ export declare namespace LibraryScreenStartParams {
|
|
|
2727
2872
|
*/
|
|
2728
2873
|
cyclic?: boolean;
|
|
2729
2874
|
/**
|
|
2730
|
-
*
|
|
2875
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2876
|
+
* SMILES modifications are not supported.
|
|
2731
2877
|
*/
|
|
2732
2878
|
modifications?: Array<RnaEntity.Modification>;
|
|
2733
2879
|
}
|
|
2734
2880
|
namespace RnaEntity {
|
|
2881
|
+
/**
|
|
2882
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2883
|
+
* are not accepted.
|
|
2884
|
+
*/
|
|
2735
2885
|
interface Modification {
|
|
2736
2886
|
/**
|
|
2737
2887
|
* 0-based index of the residue to modify
|
|
2738
2888
|
*/
|
|
2739
2889
|
residue_index: number;
|
|
2890
|
+
/**
|
|
2891
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2892
|
+
*/
|
|
2740
2893
|
type: 'ccd';
|
|
2741
2894
|
/**
|
|
2742
2895
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2760,16 +2913,24 @@ export declare namespace LibraryScreenStartParams {
|
|
|
2760
2913
|
*/
|
|
2761
2914
|
cyclic?: boolean;
|
|
2762
2915
|
/**
|
|
2763
|
-
*
|
|
2916
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2917
|
+
* SMILES modifications are not supported.
|
|
2764
2918
|
*/
|
|
2765
2919
|
modifications?: Array<DnaEntity.Modification>;
|
|
2766
2920
|
}
|
|
2767
2921
|
namespace DnaEntity {
|
|
2922
|
+
/**
|
|
2923
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2924
|
+
* are not accepted.
|
|
2925
|
+
*/
|
|
2768
2926
|
interface Modification {
|
|
2769
2927
|
/**
|
|
2770
2928
|
* 0-based index of the residue to modify
|
|
2771
2929
|
*/
|
|
2772
2930
|
residue_index: number;
|
|
2931
|
+
/**
|
|
2932
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2933
|
+
*/
|
|
2773
2934
|
type: 'ccd';
|
|
2774
2935
|
/**
|
|
2775
2936
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2931,17 +3092,24 @@ export declare namespace LibraryScreenStartParams {
|
|
|
2931
3092
|
*/
|
|
2932
3093
|
cyclic?: boolean;
|
|
2933
3094
|
/**
|
|
2934
|
-
*
|
|
2935
|
-
* omitted.
|
|
3095
|
+
* CCD post-translational modifications. Optional; defaults to an empty list when
|
|
3096
|
+
* omitted. SMILES modifications are not supported.
|
|
2936
3097
|
*/
|
|
2937
3098
|
modifications?: Array<ProteinEntity.Modification>;
|
|
2938
3099
|
}
|
|
2939
3100
|
namespace ProteinEntity {
|
|
3101
|
+
/**
|
|
3102
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
3103
|
+
* are not accepted.
|
|
3104
|
+
*/
|
|
2940
3105
|
interface Modification {
|
|
2941
3106
|
/**
|
|
2942
3107
|
* 0-based index of the residue to modify
|
|
2943
3108
|
*/
|
|
2944
3109
|
residue_index: number;
|
|
3110
|
+
/**
|
|
3111
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
3112
|
+
*/
|
|
2945
3113
|
type: 'ccd';
|
|
2946
3114
|
/**
|
|
2947
3115
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2965,16 +3133,24 @@ export declare namespace LibraryScreenStartParams {
|
|
|
2965
3133
|
*/
|
|
2966
3134
|
cyclic?: boolean;
|
|
2967
3135
|
/**
|
|
2968
|
-
*
|
|
3136
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
3137
|
+
* SMILES modifications are not supported.
|
|
2969
3138
|
*/
|
|
2970
3139
|
modifications?: Array<RnaEntity.Modification>;
|
|
2971
3140
|
}
|
|
2972
3141
|
namespace RnaEntity {
|
|
3142
|
+
/**
|
|
3143
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
3144
|
+
* are not accepted.
|
|
3145
|
+
*/
|
|
2973
3146
|
interface Modification {
|
|
2974
3147
|
/**
|
|
2975
3148
|
* 0-based index of the residue to modify
|
|
2976
3149
|
*/
|
|
2977
3150
|
residue_index: number;
|
|
3151
|
+
/**
|
|
3152
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
3153
|
+
*/
|
|
2978
3154
|
type: 'ccd';
|
|
2979
3155
|
/**
|
|
2980
3156
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2998,16 +3174,24 @@ export declare namespace LibraryScreenStartParams {
|
|
|
2998
3174
|
*/
|
|
2999
3175
|
cyclic?: boolean;
|
|
3000
3176
|
/**
|
|
3001
|
-
*
|
|
3177
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
3178
|
+
* SMILES modifications are not supported.
|
|
3002
3179
|
*/
|
|
3003
3180
|
modifications?: Array<DnaEntity.Modification>;
|
|
3004
3181
|
}
|
|
3005
3182
|
namespace DnaEntity {
|
|
3183
|
+
/**
|
|
3184
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
3185
|
+
* are not accepted.
|
|
3186
|
+
*/
|
|
3006
3187
|
interface Modification {
|
|
3007
3188
|
/**
|
|
3008
3189
|
* 0-based index of the residue to modify
|
|
3009
3190
|
*/
|
|
3010
3191
|
residue_index: number;
|
|
3192
|
+
/**
|
|
3193
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
3194
|
+
*/
|
|
3011
3195
|
type: 'ccd';
|
|
3012
3196
|
/**
|
|
3013
3197
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|