boltz-api 0.35.2 → 0.36.0
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 +44 -156
- package/resources/predictions/structure-and-binding.d.mts.map +1 -1
- package/resources/predictions/structure-and-binding.d.ts +44 -156
- package/resources/predictions/structure-and-binding.d.ts.map +1 -1
- package/resources/protein/design.d.mts +76 -494
- package/resources/protein/design.d.mts.map +1 -1
- package/resources/protein/design.d.ts +76 -494
- package/resources/protein/design.d.ts.map +1 -1
- package/resources/protein/library-screen.d.mts +48 -312
- package/resources/protein/library-screen.d.mts.map +1 -1
- package/resources/protein/library-screen.d.ts +48 -312
- package/resources/protein/library-screen.d.ts.map +1 -1
- package/resources/small-molecule/design.d.mts +70 -75
- package/resources/small-molecule/design.d.mts.map +1 -1
- package/resources/small-molecule/design.d.ts +70 -75
- package/resources/small-molecule/design.d.ts.map +1 -1
- package/resources/small-molecule/library-screen.d.mts +70 -75
- package/resources/small-molecule/library-screen.d.mts.map +1 -1
- package/resources/small-molecule/library-screen.d.ts +70 -75
- package/resources/small-molecule/library-screen.d.ts.map +1 -1
- package/src/resources/predictions/structure-and-binding.ts +48 -204
- package/src/resources/protein/design.ts +76 -656
- package/src/resources/protein/library-screen.ts +48 -402
- package/src/resources/small-molecule/design.ts +80 -90
- package/src/resources/small-molecule/library-screen.ts +80 -90
- 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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@@ -443,13 +443,11 @@ export namespace LibraryScreenRetrieveResponse {
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* Post-translational modifications. Optional; defaults to an empty list when
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* omitted.
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*/
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modifications?: Array<
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ProteinEntityResponse.CcdModificationResponse | ProteinEntityResponse.SmilesModificationResponse
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>;
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modifications?: Array<ProteinEntityResponse.Modification>;
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}
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export namespace ProteinEntityResponse {
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export interface
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export 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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*/
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value: string;
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}
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export interface SmilesModificationResponse {
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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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type: 'smiles';
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/**
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* SMILES string for the modification
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*/
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value: string;
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}
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}
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export interface RnaEntityResponse {
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/**
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* Chemical modifications. Optional; defaults to an empty list when omitted.
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*/
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modifications?: Array<
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RnaEntityResponse.CcdModificationResponse | RnaEntityResponse.SmilesModificationResponse
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>;
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modifications?: Array<RnaEntityResponse.Modification>;
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}
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export namespace RnaEntityResponse {
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export interface
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export 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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@@ -520,20 +502,6 @@ export namespace LibraryScreenRetrieveResponse {
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*/
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value: string;
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}
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export interface SmilesModificationResponse {
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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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type: 'smiles';
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/**
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* SMILES string for the modification
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value: string;
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}
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}
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export interface DnaEntityResponse {
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/**
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* Chemical modifications. Optional; defaults to an empty list when omitted.
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*/
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modifications?: Array<
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DnaEntityResponse.CcdModificationResponse | DnaEntityResponse.SmilesModificationResponse
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>;
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modifications?: Array<DnaEntityResponse.Modification>;
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}
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export namespace DnaEntityResponse {
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export interface
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export interface Modification {
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/**
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}
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export interface SmilesModificationResponse {
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residue_index: number;
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type: 'smiles';
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/**
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}
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}
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export interface LigandCcdEntityResponse {
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*/
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modifications?: Array<ProteinEntity.
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modifications?: Array<ProteinEntity.Modification>;
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}
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export namespace ProteinEntity {
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export interface
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export interface Modification {
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}
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export interface SmilesModification {
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type: 'smiles';
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export interface RnaEntity {
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export namespace RnaEntity {
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export interface Modification {
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|
}
|
|
2305
2165
|
|
|
2306
2166
|
export namespace ProteinEntityResponse {
|
|
2307
|
-
export interface
|
|
2167
|
+
export interface Modification {
|
|
2308
2168
|
/**
|
|
2309
2169
|
* 0-based index of the residue to modify
|
|
2310
2170
|
*/
|
|
@@ -2318,20 +2178,6 @@ export namespace LibraryScreenStopResponse {
|
|
|
2318
2178
|
*/
|
|
2319
2179
|
value: string;
|
|
2320
2180
|
}
|
|
2321
|
-
|
|
2322
|
-
export interface SmilesModificationResponse {
|
|
2323
|
-
/**
|
|
2324
|
-
* 0-based index of the residue to modify
|
|
2325
|
-
*/
|
|
2326
|
-
residue_index: number;
|
|
2327
|
-
|
|
2328
|
-
type: 'smiles';
|
|
2329
|
-
|
|
2330
|
-
/**
|
|
2331
|
-
* SMILES string for the modification
|
|
2332
|
-
*/
|
|
2333
|
-
value: string;
|
|
2334
|
-
}
|
|
2335
2181
|
}
|
|
2336
2182
|
|
|
2337
2183
|
export interface RnaEntityResponse {
|
|
@@ -2355,13 +2201,11 @@ export namespace LibraryScreenStopResponse {
|
|
|
2355
2201
|
/**
|
|
2356
2202
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2357
2203
|
*/
|
|
2358
|
-
modifications?: Array<
|
|
2359
|
-
RnaEntityResponse.CcdModificationResponse | RnaEntityResponse.SmilesModificationResponse
|
|
2360
|
-
>;
|
|
2204
|
+
modifications?: Array<RnaEntityResponse.Modification>;
|
|
2361
2205
|
}
|
|
2362
2206
|
|
|
2363
2207
|
export namespace RnaEntityResponse {
|
|
2364
|
-
export interface
|
|
2208
|
+
export interface Modification {
|
|
2365
2209
|
/**
|
|
2366
2210
|
* 0-based index of the residue to modify
|
|
2367
2211
|
*/
|
|
@@ -2375,20 +2219,6 @@ export namespace LibraryScreenStopResponse {
|
|
|
2375
2219
|
*/
|
|
2376
2220
|
value: string;
|
|
2377
2221
|
}
|
|
2378
|
-
|
|
2379
|
-
export interface SmilesModificationResponse {
|
|
2380
|
-
/**
|
|
2381
|
-
* 0-based index of the residue to modify
|
|
2382
|
-
*/
|
|
2383
|
-
residue_index: number;
|
|
2384
|
-
|
|
2385
|
-
type: 'smiles';
|
|
2386
|
-
|
|
2387
|
-
/**
|
|
2388
|
-
* SMILES string for the modification
|
|
2389
|
-
*/
|
|
2390
|
-
value: string;
|
|
2391
|
-
}
|
|
2392
2222
|
}
|
|
2393
2223
|
|
|
2394
2224
|
export interface DnaEntityResponse {
|
|
@@ -2412,13 +2242,11 @@ export namespace LibraryScreenStopResponse {
|
|
|
2412
2242
|
/**
|
|
2413
2243
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2414
2244
|
*/
|
|
2415
|
-
modifications?: Array<
|
|
2416
|
-
DnaEntityResponse.CcdModificationResponse | DnaEntityResponse.SmilesModificationResponse
|
|
2417
|
-
>;
|
|
2245
|
+
modifications?: Array<DnaEntityResponse.Modification>;
|
|
2418
2246
|
}
|
|
2419
2247
|
|
|
2420
2248
|
export namespace DnaEntityResponse {
|
|
2421
|
-
export interface
|
|
2249
|
+
export interface Modification {
|
|
2422
2250
|
/**
|
|
2423
2251
|
* 0-based index of the residue to modify
|
|
2424
2252
|
*/
|
|
@@ -2432,20 +2260,6 @@ export namespace LibraryScreenStopResponse {
|
|
|
2432
2260
|
*/
|
|
2433
2261
|
value: string;
|
|
2434
2262
|
}
|
|
2435
|
-
|
|
2436
|
-
export interface SmilesModificationResponse {
|
|
2437
|
-
/**
|
|
2438
|
-
* 0-based index of the residue to modify
|
|
2439
|
-
*/
|
|
2440
|
-
residue_index: number;
|
|
2441
|
-
|
|
2442
|
-
type: 'smiles';
|
|
2443
|
-
|
|
2444
|
-
/**
|
|
2445
|
-
* SMILES string for the modification
|
|
2446
|
-
*/
|
|
2447
|
-
value: string;
|
|
2448
|
-
}
|
|
2449
2263
|
}
|
|
2450
2264
|
|
|
2451
2265
|
export interface LigandCcdEntityResponse {
|
|
@@ -2815,11 +2629,11 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
2815
2629
|
* Post-translational modifications. Optional; defaults to an empty list when
|
|
2816
2630
|
* omitted.
|
|
2817
2631
|
*/
|
|
2818
|
-
modifications?: Array<ProteinEntity.
|
|
2632
|
+
modifications?: Array<ProteinEntity.Modification>;
|
|
2819
2633
|
}
|
|
2820
2634
|
|
|
2821
2635
|
export namespace ProteinEntity {
|
|
2822
|
-
export interface
|
|
2636
|
+
export interface Modification {
|
|
2823
2637
|
/**
|
|
2824
2638
|
* 0-based index of the residue to modify
|
|
2825
2639
|
*/
|
|
@@ -2833,20 +2647,6 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
2833
2647
|
*/
|
|
2834
2648
|
value: string;
|
|
2835
2649
|
}
|
|
2836
|
-
|
|
2837
|
-
export interface SmilesModification {
|
|
2838
|
-
/**
|
|
2839
|
-
* 0-based index of the residue to modify
|
|
2840
|
-
*/
|
|
2841
|
-
residue_index: number;
|
|
2842
|
-
|
|
2843
|
-
type: 'smiles';
|
|
2844
|
-
|
|
2845
|
-
/**
|
|
2846
|
-
* SMILES string for the modification
|
|
2847
|
-
*/
|
|
2848
|
-
value: string;
|
|
2849
|
-
}
|
|
2850
2650
|
}
|
|
2851
2651
|
|
|
2852
2652
|
export interface RnaEntity {
|
|
@@ -2870,11 +2670,11 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
2870
2670
|
/**
|
|
2871
2671
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2872
2672
|
*/
|
|
2873
|
-
modifications?: Array<RnaEntity.
|
|
2673
|
+
modifications?: Array<RnaEntity.Modification>;
|
|
2874
2674
|
}
|
|
2875
2675
|
|
|
2876
2676
|
export namespace RnaEntity {
|
|
2877
|
-
export interface
|
|
2677
|
+
export interface Modification {
|
|
2878
2678
|
/**
|
|
2879
2679
|
* 0-based index of the residue to modify
|
|
2880
2680
|
*/
|
|
@@ -2888,20 +2688,6 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
2888
2688
|
*/
|
|
2889
2689
|
value: string;
|
|
2890
2690
|
}
|
|
2891
|
-
|
|
2892
|
-
export interface SmilesModification {
|
|
2893
|
-
/**
|
|
2894
|
-
* 0-based index of the residue to modify
|
|
2895
|
-
*/
|
|
2896
|
-
residue_index: number;
|
|
2897
|
-
|
|
2898
|
-
type: 'smiles';
|
|
2899
|
-
|
|
2900
|
-
/**
|
|
2901
|
-
* SMILES string for the modification
|
|
2902
|
-
*/
|
|
2903
|
-
value: string;
|
|
2904
|
-
}
|
|
2905
2691
|
}
|
|
2906
2692
|
|
|
2907
2693
|
export interface DnaEntity {
|
|
@@ -2925,11 +2711,11 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
2925
2711
|
/**
|
|
2926
2712
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2927
2713
|
*/
|
|
2928
|
-
modifications?: Array<DnaEntity.
|
|
2714
|
+
modifications?: Array<DnaEntity.Modification>;
|
|
2929
2715
|
}
|
|
2930
2716
|
|
|
2931
2717
|
export namespace DnaEntity {
|
|
2932
|
-
export interface
|
|
2718
|
+
export interface Modification {
|
|
2933
2719
|
/**
|
|
2934
2720
|
* 0-based index of the residue to modify
|
|
2935
2721
|
*/
|
|
@@ -2943,20 +2729,6 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
2943
2729
|
*/
|
|
2944
2730
|
value: string;
|
|
2945
2731
|
}
|
|
2946
|
-
|
|
2947
|
-
export interface SmilesModification {
|
|
2948
|
-
/**
|
|
2949
|
-
* 0-based index of the residue to modify
|
|
2950
|
-
*/
|
|
2951
|
-
residue_index: number;
|
|
2952
|
-
|
|
2953
|
-
type: 'smiles';
|
|
2954
|
-
|
|
2955
|
-
/**
|
|
2956
|
-
* SMILES string for the modification
|
|
2957
|
-
*/
|
|
2958
|
-
value: string;
|
|
2959
|
-
}
|
|
2960
2732
|
}
|
|
2961
2733
|
|
|
2962
2734
|
export interface LigandCcdEntity {
|
|
@@ -3150,11 +2922,11 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
3150
2922
|
* Post-translational modifications. Optional; defaults to an empty list when
|
|
3151
2923
|
* omitted.
|
|
3152
2924
|
*/
|
|
3153
|
-
modifications?: Array<ProteinEntity.
|
|
2925
|
+
modifications?: Array<ProteinEntity.Modification>;
|
|
3154
2926
|
}
|
|
3155
2927
|
|
|
3156
2928
|
export namespace ProteinEntity {
|
|
3157
|
-
export interface
|
|
2929
|
+
export interface Modification {
|
|
3158
2930
|
/**
|
|
3159
2931
|
* 0-based index of the residue to modify
|
|
3160
2932
|
*/
|
|
@@ -3168,20 +2940,6 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
3168
2940
|
*/
|
|
3169
2941
|
value: string;
|
|
3170
2942
|
}
|
|
3171
|
-
|
|
3172
|
-
export interface SmilesModification {
|
|
3173
|
-
/**
|
|
3174
|
-
* 0-based index of the residue to modify
|
|
3175
|
-
*/
|
|
3176
|
-
residue_index: number;
|
|
3177
|
-
|
|
3178
|
-
type: 'smiles';
|
|
3179
|
-
|
|
3180
|
-
/**
|
|
3181
|
-
* SMILES string for the modification
|
|
3182
|
-
*/
|
|
3183
|
-
value: string;
|
|
3184
|
-
}
|
|
3185
2943
|
}
|
|
3186
2944
|
|
|
3187
2945
|
export interface RnaEntity {
|
|
@@ -3205,11 +2963,11 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
3205
2963
|
/**
|
|
3206
2964
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
3207
2965
|
*/
|
|
3208
|
-
modifications?: Array<RnaEntity.
|
|
2966
|
+
modifications?: Array<RnaEntity.Modification>;
|
|
3209
2967
|
}
|
|
3210
2968
|
|
|
3211
2969
|
export namespace RnaEntity {
|
|
3212
|
-
export interface
|
|
2970
|
+
export interface Modification {
|
|
3213
2971
|
/**
|
|
3214
2972
|
* 0-based index of the residue to modify
|
|
3215
2973
|
*/
|
|
@@ -3223,20 +2981,6 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
3223
2981
|
*/
|
|
3224
2982
|
value: string;
|
|
3225
2983
|
}
|
|
3226
|
-
|
|
3227
|
-
export interface SmilesModification {
|
|
3228
|
-
/**
|
|
3229
|
-
* 0-based index of the residue to modify
|
|
3230
|
-
*/
|
|
3231
|
-
residue_index: number;
|
|
3232
|
-
|
|
3233
|
-
type: 'smiles';
|
|
3234
|
-
|
|
3235
|
-
/**
|
|
3236
|
-
* SMILES string for the modification
|
|
3237
|
-
*/
|
|
3238
|
-
value: string;
|
|
3239
|
-
}
|
|
3240
2984
|
}
|
|
3241
2985
|
|
|
3242
2986
|
export interface DnaEntity {
|
|
@@ -3260,11 +3004,11 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
3260
3004
|
/**
|
|
3261
3005
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
3262
3006
|
*/
|
|
3263
|
-
modifications?: Array<DnaEntity.
|
|
3007
|
+
modifications?: Array<DnaEntity.Modification>;
|
|
3264
3008
|
}
|
|
3265
3009
|
|
|
3266
3010
|
export namespace DnaEntity {
|
|
3267
|
-
export interface
|
|
3011
|
+
export interface Modification {
|
|
3268
3012
|
/**
|
|
3269
3013
|
* 0-based index of the residue to modify
|
|
3270
3014
|
*/
|
|
@@ -3278,20 +3022,6 @@ export namespace LibraryScreenEstimateCostParams {
|
|
|
3278
3022
|
*/
|
|
3279
3023
|
value: string;
|
|
3280
3024
|
}
|
|
3281
|
-
|
|
3282
|
-
export interface SmilesModification {
|
|
3283
|
-
/**
|
|
3284
|
-
* 0-based index of the residue to modify
|
|
3285
|
-
*/
|
|
3286
|
-
residue_index: number;
|
|
3287
|
-
|
|
3288
|
-
type: 'smiles';
|
|
3289
|
-
|
|
3290
|
-
/**
|
|
3291
|
-
* SMILES string for the modification
|
|
3292
|
-
*/
|
|
3293
|
-
value: string;
|
|
3294
|
-
}
|
|
3295
3025
|
}
|
|
3296
3026
|
|
|
3297
3027
|
export interface LigandCcdEntity {
|
|
@@ -3623,11 +3353,11 @@ export namespace LibraryScreenStartParams {
|
|
|
3623
3353
|
* Post-translational modifications. Optional; defaults to an empty list when
|
|
3624
3354
|
* omitted.
|
|
3625
3355
|
*/
|
|
3626
|
-
modifications?: Array<ProteinEntity.
|
|
3356
|
+
modifications?: Array<ProteinEntity.Modification>;
|
|
3627
3357
|
}
|
|
3628
3358
|
|
|
3629
3359
|
export namespace ProteinEntity {
|
|
3630
|
-
export interface
|
|
3360
|
+
export interface Modification {
|
|
3631
3361
|
/**
|
|
3632
3362
|
* 0-based index of the residue to modify
|
|
3633
3363
|
*/
|
|
@@ -3641,20 +3371,6 @@ export namespace LibraryScreenStartParams {
|
|
|
3641
3371
|
*/
|
|
3642
3372
|
value: string;
|
|
3643
3373
|
}
|
|
3644
|
-
|
|
3645
|
-
export interface SmilesModification {
|
|
3646
|
-
/**
|
|
3647
|
-
* 0-based index of the residue to modify
|
|
3648
|
-
*/
|
|
3649
|
-
residue_index: number;
|
|
3650
|
-
|
|
3651
|
-
type: 'smiles';
|
|
3652
|
-
|
|
3653
|
-
/**
|
|
3654
|
-
* SMILES string for the modification
|
|
3655
|
-
*/
|
|
3656
|
-
value: string;
|
|
3657
|
-
}
|
|
3658
3374
|
}
|
|
3659
3375
|
|
|
3660
3376
|
export interface RnaEntity {
|
|
@@ -3678,11 +3394,11 @@ export namespace LibraryScreenStartParams {
|
|
|
3678
3394
|
/**
|
|
3679
3395
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
3680
3396
|
*/
|
|
3681
|
-
modifications?: Array<RnaEntity.
|
|
3397
|
+
modifications?: Array<RnaEntity.Modification>;
|
|
3682
3398
|
}
|
|
3683
3399
|
|
|
3684
3400
|
export namespace RnaEntity {
|
|
3685
|
-
export interface
|
|
3401
|
+
export interface Modification {
|
|
3686
3402
|
/**
|
|
3687
3403
|
* 0-based index of the residue to modify
|
|
3688
3404
|
*/
|
|
@@ -3696,20 +3412,6 @@ export namespace LibraryScreenStartParams {
|
|
|
3696
3412
|
*/
|
|
3697
3413
|
value: string;
|
|
3698
3414
|
}
|
|
3699
|
-
|
|
3700
|
-
export interface SmilesModification {
|
|
3701
|
-
/**
|
|
3702
|
-
* 0-based index of the residue to modify
|
|
3703
|
-
*/
|
|
3704
|
-
residue_index: number;
|
|
3705
|
-
|
|
3706
|
-
type: 'smiles';
|
|
3707
|
-
|
|
3708
|
-
/**
|
|
3709
|
-
* SMILES string for the modification
|
|
3710
|
-
*/
|
|
3711
|
-
value: string;
|
|
3712
|
-
}
|
|
3713
3415
|
}
|
|
3714
3416
|
|
|
3715
3417
|
export interface DnaEntity {
|
|
@@ -3733,11 +3435,11 @@ export namespace LibraryScreenStartParams {
|
|
|
3733
3435
|
/**
|
|
3734
3436
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
3735
3437
|
*/
|
|
3736
|
-
modifications?: Array<DnaEntity.
|
|
3438
|
+
modifications?: Array<DnaEntity.Modification>;
|
|
3737
3439
|
}
|
|
3738
3440
|
|
|
3739
3441
|
export namespace DnaEntity {
|
|
3740
|
-
export interface
|
|
3442
|
+
export interface Modification {
|
|
3741
3443
|
/**
|
|
3742
3444
|
* 0-based index of the residue to modify
|
|
3743
3445
|
*/
|
|
@@ -3751,20 +3453,6 @@ export namespace LibraryScreenStartParams {
|
|
|
3751
3453
|
*/
|
|
3752
3454
|
value: string;
|
|
3753
3455
|
}
|
|
3754
|
-
|
|
3755
|
-
export interface SmilesModification {
|
|
3756
|
-
/**
|
|
3757
|
-
* 0-based index of the residue to modify
|
|
3758
|
-
*/
|
|
3759
|
-
residue_index: number;
|
|
3760
|
-
|
|
3761
|
-
type: 'smiles';
|
|
3762
|
-
|
|
3763
|
-
/**
|
|
3764
|
-
* SMILES string for the modification
|
|
3765
|
-
*/
|
|
3766
|
-
value: string;
|
|
3767
|
-
}
|
|
3768
3456
|
}
|
|
3769
3457
|
|
|
3770
3458
|
export interface LigandCcdEntity {
|
|
@@ -3958,11 +3646,11 @@ export namespace LibraryScreenStartParams {
|
|
|
3958
3646
|
* Post-translational modifications. Optional; defaults to an empty list when
|
|
3959
3647
|
* omitted.
|
|
3960
3648
|
*/
|
|
3961
|
-
modifications?: Array<ProteinEntity.
|
|
3649
|
+
modifications?: Array<ProteinEntity.Modification>;
|
|
3962
3650
|
}
|
|
3963
3651
|
|
|
3964
3652
|
export namespace ProteinEntity {
|
|
3965
|
-
export interface
|
|
3653
|
+
export interface Modification {
|
|
3966
3654
|
/**
|
|
3967
3655
|
* 0-based index of the residue to modify
|
|
3968
3656
|
*/
|
|
@@ -3976,20 +3664,6 @@ export namespace LibraryScreenStartParams {
|
|
|
3976
3664
|
*/
|
|
3977
3665
|
value: string;
|
|
3978
3666
|
}
|
|
3979
|
-
|
|
3980
|
-
export interface SmilesModification {
|
|
3981
|
-
/**
|
|
3982
|
-
* 0-based index of the residue to modify
|
|
3983
|
-
*/
|
|
3984
|
-
residue_index: number;
|
|
3985
|
-
|
|
3986
|
-
type: 'smiles';
|
|
3987
|
-
|
|
3988
|
-
/**
|
|
3989
|
-
* SMILES string for the modification
|
|
3990
|
-
*/
|
|
3991
|
-
value: string;
|
|
3992
|
-
}
|
|
3993
3667
|
}
|
|
3994
3668
|
|
|
3995
3669
|
export interface RnaEntity {
|
|
@@ -4013,11 +3687,11 @@ export namespace LibraryScreenStartParams {
|
|
|
4013
3687
|
/**
|
|
4014
3688
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
4015
3689
|
*/
|
|
4016
|
-
modifications?: Array<RnaEntity.
|
|
3690
|
+
modifications?: Array<RnaEntity.Modification>;
|
|
4017
3691
|
}
|
|
4018
3692
|
|
|
4019
3693
|
export namespace RnaEntity {
|
|
4020
|
-
export interface
|
|
3694
|
+
export interface Modification {
|
|
4021
3695
|
/**
|
|
4022
3696
|
* 0-based index of the residue to modify
|
|
4023
3697
|
*/
|
|
@@ -4031,20 +3705,6 @@ export namespace LibraryScreenStartParams {
|
|
|
4031
3705
|
*/
|
|
4032
3706
|
value: string;
|
|
4033
3707
|
}
|
|
4034
|
-
|
|
4035
|
-
export interface SmilesModification {
|
|
4036
|
-
/**
|
|
4037
|
-
* 0-based index of the residue to modify
|
|
4038
|
-
*/
|
|
4039
|
-
residue_index: number;
|
|
4040
|
-
|
|
4041
|
-
type: 'smiles';
|
|
4042
|
-
|
|
4043
|
-
/**
|
|
4044
|
-
* SMILES string for the modification
|
|
4045
|
-
*/
|
|
4046
|
-
value: string;
|
|
4047
|
-
}
|
|
4048
3708
|
}
|
|
4049
3709
|
|
|
4050
3710
|
export interface DnaEntity {
|
|
@@ -4068,11 +3728,11 @@ export namespace LibraryScreenStartParams {
|
|
|
4068
3728
|
/**
|
|
4069
3729
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
4070
3730
|
*/
|
|
4071
|
-
modifications?: Array<DnaEntity.
|
|
3731
|
+
modifications?: Array<DnaEntity.Modification>;
|
|
4072
3732
|
}
|
|
4073
3733
|
|
|
4074
3734
|
export namespace DnaEntity {
|
|
4075
|
-
export interface
|
|
3735
|
+
export interface Modification {
|
|
4076
3736
|
/**
|
|
4077
3737
|
* 0-based index of the residue to modify
|
|
4078
3738
|
*/
|
|
@@ -4086,20 +3746,6 @@ export namespace LibraryScreenStartParams {
|
|
|
4086
3746
|
*/
|
|
4087
3747
|
value: string;
|
|
4088
3748
|
}
|
|
4089
|
-
|
|
4090
|
-
export interface SmilesModification {
|
|
4091
|
-
/**
|
|
4092
|
-
* 0-based index of the residue to modify
|
|
4093
|
-
*/
|
|
4094
|
-
residue_index: number;
|
|
4095
|
-
|
|
4096
|
-
type: 'smiles';
|
|
4097
|
-
|
|
4098
|
-
/**
|
|
4099
|
-
* SMILES string for the modification
|
|
4100
|
-
*/
|
|
4101
|
-
value: string;
|
|
4102
|
-
}
|
|
4103
3749
|
}
|
|
4104
3750
|
|
|
4105
3751
|
export interface LigandCcdEntity {
|