boltz-api 0.30.4 → 0.35.3
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/CHANGELOG.md +75 -0
- package/api-promise.d.mts +1 -0
- package/api-promise.d.mts.map +1 -1
- package/api-promise.d.ts +1 -0
- package/api-promise.d.ts.map +1 -1
- package/api-promise.mjs +1 -0
- package/api-promise.mjs.map +1 -1
- package/client.d.mts.map +1 -1
- package/client.d.ts.map +1 -1
- package/client.mjs.map +1 -1
- package/core/api-promise.d.mts.map +1 -1
- package/core/api-promise.d.ts.map +1 -1
- package/core/api-promise.mjs.map +1 -1
- package/core/error.mjs.map +1 -1
- package/core/pagination.d.mts.map +1 -1
- package/core/pagination.d.ts.map +1 -1
- package/core/pagination.mjs.map +1 -1
- package/core/resource.d.mts.map +1 -1
- package/core/resource.d.ts.map +1 -1
- package/core/uploads.d.mts.map +1 -1
- package/core/uploads.d.ts.map +1 -1
- package/core/uploads.mjs.map +1 -1
- package/error.d.mts +1 -0
- package/error.d.mts.map +1 -1
- package/error.d.ts +1 -0
- package/error.d.ts.map +1 -1
- package/error.mjs +1 -0
- package/error.mjs.map +1 -1
- package/index.d.mts.map +1 -1
- package/index.d.ts.map +1 -1
- package/index.mjs.map +1 -1
- package/internal/detect-platform.mjs.map +1 -1
- package/internal/headers.mjs.map +1 -1
- package/internal/parse.d.mts.map +1 -1
- package/internal/parse.d.ts.map +1 -1
- package/internal/parse.mjs.map +1 -1
- package/internal/qs/formats.d.mts.map +1 -1
- package/internal/qs/formats.d.ts.map +1 -1
- package/internal/qs/index.d.mts +2 -2
- package/internal/qs/index.d.mts.map +1 -1
- package/internal/qs/index.d.ts +2 -2
- package/internal/qs/index.d.ts.map +1 -1
- package/internal/qs/index.mjs.map +1 -1
- package/internal/qs/stringify.d.mts.map +1 -1
- package/internal/qs/stringify.d.ts.map +1 -1
- package/internal/qs/stringify.mjs.map +1 -1
- package/internal/qs/utils.d.mts.map +1 -1
- package/internal/qs/utils.d.ts.map +1 -1
- package/internal/qs/utils.mjs.map +1 -1
- package/internal/request-options.d.mts.map +1 -1
- package/internal/request-options.d.ts.map +1 -1
- package/internal/shims.d.mts +6 -0
- package/internal/shims.d.mts.map +1 -1
- package/internal/shims.d.ts +6 -0
- package/internal/shims.d.ts.map +1 -1
- package/internal/to-file.d.mts.map +1 -1
- package/internal/to-file.d.ts.map +1 -1
- package/internal/to-file.mjs.map +1 -1
- package/internal/types.d.mts +4 -4
- package/internal/types.d.mts.map +1 -1
- package/internal/types.d.ts +4 -4
- package/internal/types.d.ts.map +1 -1
- package/internal/uploads.d.mts.map +1 -1
- package/internal/uploads.d.ts.map +1 -1
- package/internal/uploads.mjs.map +1 -1
- package/internal/utils/base64.mjs.map +1 -1
- package/internal/utils/log.d.mts.map +1 -1
- package/internal/utils/log.d.ts.map +1 -1
- package/internal/utils/log.mjs.map +1 -1
- package/internal/utils/path.mjs.map +1 -1
- package/internal/utils/query.mjs.map +1 -1
- package/internal/utils/values.mjs.map +1 -1
- package/internal/utils.d.mts.map +1 -1
- package/internal/utils.d.ts.map +1 -1
- package/internal/utils.mjs.map +1 -1
- package/package.json +1 -1
- package/pagination.d.mts +1 -0
- package/pagination.d.mts.map +1 -1
- package/pagination.d.ts +1 -0
- package/pagination.d.ts.map +1 -1
- package/pagination.mjs +1 -0
- package/pagination.mjs.map +1 -1
- package/resource.d.mts +1 -0
- package/resource.d.mts.map +1 -1
- package/resource.d.ts +1 -0
- package/resource.d.ts.map +1 -1
- package/resource.mjs +1 -0
- package/resource.mjs.map +1 -1
- package/resources/admin/admin.d.mts +2 -2
- package/resources/admin/admin.d.mts.map +1 -1
- package/resources/admin/admin.d.ts +2 -2
- package/resources/admin/admin.d.ts.map +1 -1
- package/resources/admin/admin.js.map +1 -1
- package/resources/admin/admin.mjs.map +1 -1
- package/resources/admin/api-keys.d.mts.map +1 -1
- package/resources/admin/api-keys.d.ts.map +1 -1
- package/resources/admin/api-keys.mjs.map +1 -1
- package/resources/admin/index.d.mts +1 -1
- package/resources/admin/index.d.mts.map +1 -1
- package/resources/admin/index.d.ts +1 -1
- package/resources/admin/index.d.ts.map +1 -1
- package/resources/admin/index.js.map +1 -1
- package/resources/admin/index.mjs.map +1 -1
- package/resources/admin/usage.d.mts.map +1 -1
- package/resources/admin/usage.d.ts.map +1 -1
- package/resources/admin/usage.mjs.map +1 -1
- package/resources/admin/workspaces.d.mts +94 -1
- package/resources/admin/workspaces.d.mts.map +1 -1
- package/resources/admin/workspaces.d.ts +94 -1
- package/resources/admin/workspaces.d.ts.map +1 -1
- package/resources/admin/workspaces.js +15 -0
- package/resources/admin/workspaces.js.map +1 -1
- package/resources/admin/workspaces.mjs +15 -0
- package/resources/admin/workspaces.mjs.map +1 -1
- package/resources/admin.d.mts.map +1 -1
- package/resources/admin.d.ts.map +1 -1
- package/resources/admin.mjs.map +1 -1
- package/resources/auth.d.mts.map +1 -1
- package/resources/auth.d.ts.map +1 -1
- package/resources/auth.mjs.map +1 -1
- package/resources/cli.d.mts.map +1 -1
- package/resources/cli.d.ts.map +1 -1
- package/resources/cli.mjs.map +1 -1
- package/resources/index.d.mts.map +1 -1
- package/resources/index.d.ts.map +1 -1
- package/resources/index.mjs.map +1 -1
- package/resources/predictions/adme.d.mts +539 -0
- package/resources/predictions/adme.d.mts.map +1 -0
- package/resources/predictions/adme.d.ts +539 -0
- package/resources/predictions/adme.d.ts.map +1 -0
- package/resources/predictions/adme.js +72 -0
- package/resources/predictions/adme.js.map +1 -0
- package/resources/predictions/adme.mjs +68 -0
- package/resources/predictions/adme.mjs.map +1 -0
- package/resources/predictions/index.d.mts +1 -0
- package/resources/predictions/index.d.mts.map +1 -1
- package/resources/predictions/index.d.ts +1 -0
- package/resources/predictions/index.d.ts.map +1 -1
- package/resources/predictions/index.js +3 -1
- package/resources/predictions/index.js.map +1 -1
- package/resources/predictions/index.mjs +1 -0
- package/resources/predictions/index.mjs.map +1 -1
- package/resources/predictions/predictions.d.mts +4 -0
- package/resources/predictions/predictions.d.mts.map +1 -1
- package/resources/predictions/predictions.d.ts +4 -0
- package/resources/predictions/predictions.d.ts.map +1 -1
- package/resources/predictions/predictions.js +4 -0
- package/resources/predictions/predictions.js.map +1 -1
- package/resources/predictions/predictions.mjs +4 -0
- package/resources/predictions/predictions.mjs.map +1 -1
- package/resources/predictions/structure-and-binding.d.mts +24 -156
- package/resources/predictions/structure-and-binding.d.mts.map +1 -1
- package/resources/predictions/structure-and-binding.d.ts +24 -156
- package/resources/predictions/structure-and-binding.d.ts.map +1 -1
- package/resources/predictions/structure-and-binding.mjs.map +1 -1
- package/resources/predictions.d.mts.map +1 -1
- package/resources/predictions.d.ts.map +1 -1
- package/resources/predictions.mjs.map +1 -1
- package/resources/protein/design.d.mts +161 -509
- package/resources/protein/design.d.mts.map +1 -1
- package/resources/protein/design.d.ts +161 -509
- package/resources/protein/design.d.ts.map +1 -1
- package/resources/protein/design.mjs.map +1 -1
- package/resources/protein/index.d.mts.map +1 -1
- package/resources/protein/index.d.ts.map +1 -1
- package/resources/protein/index.mjs.map +1 -1
- package/resources/protein/library-screen.d.mts +133 -327
- package/resources/protein/library-screen.d.mts.map +1 -1
- package/resources/protein/library-screen.d.ts +133 -327
- package/resources/protein/library-screen.d.ts.map +1 -1
- package/resources/protein/library-screen.mjs.map +1 -1
- package/resources/protein/protein.d.mts.map +1 -1
- package/resources/protein/protein.d.ts.map +1 -1
- package/resources/protein/protein.mjs.map +1 -1
- package/resources/protein.d.mts.map +1 -1
- package/resources/protein.d.ts.map +1 -1
- package/resources/protein.mjs.map +1 -1
- package/resources/small-molecule/design.d.mts +31 -65
- package/resources/small-molecule/design.d.mts.map +1 -1
- package/resources/small-molecule/design.d.ts +31 -65
- package/resources/small-molecule/design.d.ts.map +1 -1
- package/resources/small-molecule/design.mjs.map +1 -1
- package/resources/small-molecule/index.d.mts.map +1 -1
- package/resources/small-molecule/index.d.ts.map +1 -1
- package/resources/small-molecule/index.mjs.map +1 -1
- package/resources/small-molecule/library-screen.d.mts +31 -65
- package/resources/small-molecule/library-screen.d.mts.map +1 -1
- package/resources/small-molecule/library-screen.d.ts +31 -65
- package/resources/small-molecule/library-screen.d.ts.map +1 -1
- package/resources/small-molecule/library-screen.mjs.map +1 -1
- package/resources/small-molecule/small-molecule.d.mts.map +1 -1
- package/resources/small-molecule/small-molecule.d.ts.map +1 -1
- package/resources/small-molecule/small-molecule.mjs.map +1 -1
- package/resources/small-molecule.d.mts.map +1 -1
- package/resources/small-molecule.d.ts.map +1 -1
- package/resources/small-molecule.mjs.map +1 -1
- package/resources.d.mts.map +1 -1
- package/resources.d.ts.map +1 -1
- package/resources.mjs.map +1 -1
- package/src/resources/admin/admin.ts +6 -0
- package/src/resources/admin/index.ts +3 -0
- package/src/resources/admin/workspaces.ts +131 -1
- package/src/resources/predictions/adme.ts +682 -0
- package/src/resources/predictions/index.ts +11 -0
- package/src/resources/predictions/predictions.ts +26 -0
- package/src/resources/predictions/structure-and-binding.ts +24 -204
- package/src/resources/protein/design.ts +161 -671
- package/src/resources/protein/library-screen.ts +133 -417
- package/src/resources/small-molecule/design.ts +35 -80
- package/src/resources/small-molecule/library-screen.ts +35 -80
- package/src/version.ts +1 -1
- package/uploads.d.mts +1 -0
- package/uploads.d.mts.map +1 -1
- package/uploads.d.ts +1 -0
- package/uploads.d.ts.map +1 -1
- package/uploads.mjs +1 -0
- package/uploads.mjs.map +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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/**
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export namespace DesignedProteinEntityResponse {
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export interface
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export interface Modification {
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export interface SmilesModificationResponse {
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* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
942
|
+
*/
|
|
943
|
+
non_binding_residues?: Array<number>;
|
|
1003
944
|
}
|
|
1004
945
|
|
|
1005
946
|
/**
|
|
@@ -1063,9 +1004,16 @@ export namespace DesignRetrieveResponse {
|
|
|
1063
1004
|
/**
|
|
1064
1005
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
1065
1006
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
1066
|
-
* indices.
|
|
1007
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
1067
1008
|
*/
|
|
1068
1009
|
epitope_residues?: { [key: string]: Array<number> };
|
|
1010
|
+
|
|
1011
|
+
/**
|
|
1012
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
1013
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
1014
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
1015
|
+
*/
|
|
1016
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
1069
1017
|
}
|
|
1070
1018
|
|
|
1071
1019
|
export namespace NoTemplateTargetResponse {
|
|
@@ -1091,13 +1039,11 @@ export namespace DesignRetrieveResponse {
|
|
|
1091
1039
|
* Post-translational modifications. Optional; defaults to an empty list when
|
|
1092
1040
|
* omitted.
|
|
1093
1041
|
*/
|
|
1094
|
-
modifications?: Array<
|
|
1095
|
-
ProteinEntityResponse.CcdModificationResponse | ProteinEntityResponse.SmilesModificationResponse
|
|
1096
|
-
>;
|
|
1042
|
+
modifications?: Array<ProteinEntityResponse.Modification>;
|
|
1097
1043
|
}
|
|
1098
1044
|
|
|
1099
1045
|
export namespace ProteinEntityResponse {
|
|
1100
|
-
export interface
|
|
1046
|
+
export interface Modification {
|
|
1101
1047
|
/**
|
|
1102
1048
|
* 0-based index of the residue to modify
|
|
1103
1049
|
*/
|
|
@@ -1111,20 +1057,6 @@ export namespace DesignRetrieveResponse {
|
|
|
1111
1057
|
*/
|
|
1112
1058
|
value: string;
|
|
1113
1059
|
}
|
|
1114
|
-
|
|
1115
|
-
export interface SmilesModificationResponse {
|
|
1116
|
-
/**
|
|
1117
|
-
* 0-based index of the residue to modify
|
|
1118
|
-
*/
|
|
1119
|
-
residue_index: number;
|
|
1120
|
-
|
|
1121
|
-
type: 'smiles';
|
|
1122
|
-
|
|
1123
|
-
/**
|
|
1124
|
-
* SMILES string for the modification
|
|
1125
|
-
*/
|
|
1126
|
-
value: string;
|
|
1127
|
-
}
|
|
1128
1060
|
}
|
|
1129
1061
|
|
|
1130
1062
|
export interface RnaEntityResponse {
|
|
@@ -1148,13 +1080,11 @@ export namespace DesignRetrieveResponse {
|
|
|
1148
1080
|
/**
|
|
1149
1081
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
1150
1082
|
*/
|
|
1151
|
-
modifications?: Array<
|
|
1152
|
-
RnaEntityResponse.CcdModificationResponse | RnaEntityResponse.SmilesModificationResponse
|
|
1153
|
-
>;
|
|
1083
|
+
modifications?: Array<RnaEntityResponse.Modification>;
|
|
1154
1084
|
}
|
|
1155
1085
|
|
|
1156
1086
|
export namespace RnaEntityResponse {
|
|
1157
|
-
export interface
|
|
1087
|
+
export interface Modification {
|
|
1158
1088
|
/**
|
|
1159
1089
|
* 0-based index of the residue to modify
|
|
1160
1090
|
*/
|
|
@@ -1168,20 +1098,6 @@ export namespace DesignRetrieveResponse {
|
|
|
1168
1098
|
*/
|
|
1169
1099
|
value: string;
|
|
1170
1100
|
}
|
|
1171
|
-
|
|
1172
|
-
export interface SmilesModificationResponse {
|
|
1173
|
-
/**
|
|
1174
|
-
* 0-based index of the residue to modify
|
|
1175
|
-
*/
|
|
1176
|
-
residue_index: number;
|
|
1177
|
-
|
|
1178
|
-
type: 'smiles';
|
|
1179
|
-
|
|
1180
|
-
/**
|
|
1181
|
-
* SMILES string for the modification
|
|
1182
|
-
*/
|
|
1183
|
-
value: string;
|
|
1184
|
-
}
|
|
1185
1101
|
}
|
|
1186
1102
|
|
|
1187
1103
|
export interface DnaEntityResponse {
|
|
@@ -1205,13 +1121,11 @@ export namespace DesignRetrieveResponse {
|
|
|
1205
1121
|
/**
|
|
1206
1122
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
1207
1123
|
*/
|
|
1208
|
-
modifications?: Array<
|
|
1209
|
-
DnaEntityResponse.CcdModificationResponse | DnaEntityResponse.SmilesModificationResponse
|
|
1210
|
-
>;
|
|
1124
|
+
modifications?: Array<DnaEntityResponse.Modification>;
|
|
1211
1125
|
}
|
|
1212
1126
|
|
|
1213
1127
|
export namespace DnaEntityResponse {
|
|
1214
|
-
export interface
|
|
1128
|
+
export interface Modification {
|
|
1215
1129
|
/**
|
|
1216
1130
|
* 0-based index of the residue to modify
|
|
1217
1131
|
*/
|
|
@@ -1225,20 +1139,6 @@ export namespace DesignRetrieveResponse {
|
|
|
1225
1139
|
*/
|
|
1226
1140
|
value: string;
|
|
1227
1141
|
}
|
|
1228
|
-
|
|
1229
|
-
export interface SmilesModificationResponse {
|
|
1230
|
-
/**
|
|
1231
|
-
* 0-based index of the residue to modify
|
|
1232
|
-
*/
|
|
1233
|
-
residue_index: number;
|
|
1234
|
-
|
|
1235
|
-
type: 'smiles';
|
|
1236
|
-
|
|
1237
|
-
/**
|
|
1238
|
-
* SMILES string for the modification
|
|
1239
|
-
*/
|
|
1240
|
-
value: string;
|
|
1241
|
-
}
|
|
1242
1142
|
}
|
|
1243
1143
|
|
|
1244
1144
|
export interface LigandCcdEntityResponse {
|
|
@@ -1760,11 +1660,11 @@ export namespace DesignListResultsResponse {
|
|
|
1760
1660
|
* Post-translational modifications. Optional; defaults to an empty list when
|
|
1761
1661
|
* omitted.
|
|
1762
1662
|
*/
|
|
1763
|
-
modifications?: Array<ProteinEntity.
|
|
1663
|
+
modifications?: Array<ProteinEntity.Modification>;
|
|
1764
1664
|
}
|
|
1765
1665
|
|
|
1766
1666
|
export namespace ProteinEntity {
|
|
1767
|
-
export interface
|
|
1667
|
+
export interface Modification {
|
|
1768
1668
|
/**
|
|
1769
1669
|
* 0-based index of the residue to modify
|
|
1770
1670
|
*/
|
|
@@ -1778,20 +1678,6 @@ export namespace DesignListResultsResponse {
|
|
|
1778
1678
|
*/
|
|
1779
1679
|
value: string;
|
|
1780
1680
|
}
|
|
1781
|
-
|
|
1782
|
-
export interface SmilesModification {
|
|
1783
|
-
/**
|
|
1784
|
-
* 0-based index of the residue to modify
|
|
1785
|
-
*/
|
|
1786
|
-
residue_index: number;
|
|
1787
|
-
|
|
1788
|
-
type: 'smiles';
|
|
1789
|
-
|
|
1790
|
-
/**
|
|
1791
|
-
* SMILES string for the modification
|
|
1792
|
-
*/
|
|
1793
|
-
value: string;
|
|
1794
|
-
}
|
|
1795
1681
|
}
|
|
1796
1682
|
|
|
1797
1683
|
export interface RnaEntity {
|
|
@@ -1815,11 +1701,11 @@ export namespace DesignListResultsResponse {
|
|
|
1815
1701
|
/**
|
|
1816
1702
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
1817
1703
|
*/
|
|
1818
|
-
modifications?: Array<RnaEntity.
|
|
1704
|
+
modifications?: Array<RnaEntity.Modification>;
|
|
1819
1705
|
}
|
|
1820
1706
|
|
|
1821
1707
|
export namespace RnaEntity {
|
|
1822
|
-
export interface
|
|
1708
|
+
export interface Modification {
|
|
1823
1709
|
/**
|
|
1824
1710
|
* 0-based index of the residue to modify
|
|
1825
1711
|
*/
|
|
@@ -1833,20 +1719,6 @@ export namespace DesignListResultsResponse {
|
|
|
1833
1719
|
*/
|
|
1834
1720
|
value: string;
|
|
1835
1721
|
}
|
|
1836
|
-
|
|
1837
|
-
export interface SmilesModification {
|
|
1838
|
-
/**
|
|
1839
|
-
* 0-based index of the residue to modify
|
|
1840
|
-
*/
|
|
1841
|
-
residue_index: number;
|
|
1842
|
-
|
|
1843
|
-
type: 'smiles';
|
|
1844
|
-
|
|
1845
|
-
/**
|
|
1846
|
-
* SMILES string for the modification
|
|
1847
|
-
*/
|
|
1848
|
-
value: string;
|
|
1849
|
-
}
|
|
1850
1722
|
}
|
|
1851
1723
|
|
|
1852
1724
|
export interface DnaEntity {
|
|
@@ -1870,11 +1742,11 @@ export namespace DesignListResultsResponse {
|
|
|
1870
1742
|
/**
|
|
1871
1743
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
1872
1744
|
*/
|
|
1873
|
-
modifications?: Array<DnaEntity.
|
|
1745
|
+
modifications?: Array<DnaEntity.Modification>;
|
|
1874
1746
|
}
|
|
1875
1747
|
|
|
1876
1748
|
export namespace DnaEntity {
|
|
1877
|
-
export interface
|
|
1749
|
+
export interface Modification {
|
|
1878
1750
|
/**
|
|
1879
1751
|
* 0-based index of the residue to modify
|
|
1880
1752
|
*/
|
|
@@ -1888,20 +1760,6 @@ export namespace DesignListResultsResponse {
|
|
|
1888
1760
|
*/
|
|
1889
1761
|
value: string;
|
|
1890
1762
|
}
|
|
1891
|
-
|
|
1892
|
-
export interface SmilesModification {
|
|
1893
|
-
/**
|
|
1894
|
-
* 0-based index of the residue to modify
|
|
1895
|
-
*/
|
|
1896
|
-
residue_index: number;
|
|
1897
|
-
|
|
1898
|
-
type: 'smiles';
|
|
1899
|
-
|
|
1900
|
-
/**
|
|
1901
|
-
* SMILES string for the modification
|
|
1902
|
-
*/
|
|
1903
|
-
value: string;
|
|
1904
|
-
}
|
|
1905
1763
|
}
|
|
1906
1764
|
|
|
1907
1765
|
export interface LigandCcdEntity {
|
|
@@ -2350,14 +2208,11 @@ export namespace DesignStartResponse {
|
|
|
2350
2208
|
/**
|
|
2351
2209
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
2352
2210
|
*/
|
|
2353
|
-
modifications?: Array<
|
|
2354
|
-
| DesignedProteinEntityResponse.CcdModificationResponse
|
|
2355
|
-
| DesignedProteinEntityResponse.SmilesModificationResponse
|
|
2356
|
-
>;
|
|
2211
|
+
modifications?: Array<DesignedProteinEntityResponse.Modification>;
|
|
2357
2212
|
}
|
|
2358
2213
|
|
|
2359
2214
|
export namespace DesignedProteinEntityResponse {
|
|
2360
|
-
export interface
|
|
2215
|
+
export interface Modification {
|
|
2361
2216
|
/**
|
|
2362
2217
|
* 0-based index of the residue to modify
|
|
2363
2218
|
*/
|
|
@@ -2371,20 +2226,6 @@ export namespace DesignStartResponse {
|
|
|
2371
2226
|
*/
|
|
2372
2227
|
value: string;
|
|
2373
2228
|
}
|
|
2374
|
-
|
|
2375
|
-
export interface SmilesModificationResponse {
|
|
2376
|
-
/**
|
|
2377
|
-
* 0-based index of the residue to modify
|
|
2378
|
-
*/
|
|
2379
|
-
residue_index: number;
|
|
2380
|
-
|
|
2381
|
-
type: 'smiles';
|
|
2382
|
-
|
|
2383
|
-
/**
|
|
2384
|
-
* SMILES string for the modification
|
|
2385
|
-
*/
|
|
2386
|
-
value: string;
|
|
2387
|
-
}
|
|
2388
2229
|
}
|
|
2389
2230
|
|
|
2390
2231
|
/**
|
|
@@ -2411,14 +2252,11 @@ export namespace DesignStartResponse {
|
|
|
2411
2252
|
/**
|
|
2412
2253
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
2413
2254
|
*/
|
|
2414
|
-
modifications?: Array<
|
|
2415
|
-
| FixedProteinEntityResponse.CcdModificationResponse
|
|
2416
|
-
| FixedProteinEntityResponse.SmilesModificationResponse
|
|
2417
|
-
>;
|
|
2255
|
+
modifications?: Array<FixedProteinEntityResponse.Modification>;
|
|
2418
2256
|
}
|
|
2419
2257
|
|
|
2420
2258
|
export namespace FixedProteinEntityResponse {
|
|
2421
|
-
export interface
|
|
2259
|
+
export interface Modification {
|
|
2422
2260
|
/**
|
|
2423
2261
|
* 0-based index of the residue to modify
|
|
2424
2262
|
*/
|
|
@@ -2432,20 +2270,6 @@ export namespace DesignStartResponse {
|
|
|
2432
2270
|
*/
|
|
2433
2271
|
value: string;
|
|
2434
2272
|
}
|
|
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
2273
|
}
|
|
2450
2274
|
|
|
2451
2275
|
export interface FixedRnaEntityResponse {
|
|
@@ -2469,13 +2293,11 @@ export namespace DesignStartResponse {
|
|
|
2469
2293
|
/**
|
|
2470
2294
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
2471
2295
|
*/
|
|
2472
|
-
modifications?: Array<
|
|
2473
|
-
FixedRnaEntityResponse.CcdModificationResponse | FixedRnaEntityResponse.SmilesModificationResponse
|
|
2474
|
-
>;
|
|
2296
|
+
modifications?: Array<FixedRnaEntityResponse.Modification>;
|
|
2475
2297
|
}
|
|
2476
2298
|
|
|
2477
2299
|
export namespace FixedRnaEntityResponse {
|
|
2478
|
-
export interface
|
|
2300
|
+
export interface Modification {
|
|
2479
2301
|
/**
|
|
2480
2302
|
* 0-based index of the residue to modify
|
|
2481
2303
|
*/
|
|
@@ -2489,20 +2311,6 @@ export namespace DesignStartResponse {
|
|
|
2489
2311
|
*/
|
|
2490
2312
|
value: string;
|
|
2491
2313
|
}
|
|
2492
|
-
|
|
2493
|
-
export interface SmilesModificationResponse {
|
|
2494
|
-
/**
|
|
2495
|
-
* 0-based index of the residue to modify
|
|
2496
|
-
*/
|
|
2497
|
-
residue_index: number;
|
|
2498
|
-
|
|
2499
|
-
type: 'smiles';
|
|
2500
|
-
|
|
2501
|
-
/**
|
|
2502
|
-
* SMILES string for the modification
|
|
2503
|
-
*/
|
|
2504
|
-
value: string;
|
|
2505
|
-
}
|
|
2506
2314
|
}
|
|
2507
2315
|
|
|
2508
2316
|
export interface FixedDnaEntityResponse {
|
|
@@ -2526,13 +2334,11 @@ export namespace DesignStartResponse {
|
|
|
2526
2334
|
/**
|
|
2527
2335
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
2528
2336
|
*/
|
|
2529
|
-
modifications?: Array<
|
|
2530
|
-
FixedDnaEntityResponse.CcdModificationResponse | FixedDnaEntityResponse.SmilesModificationResponse
|
|
2531
|
-
>;
|
|
2337
|
+
modifications?: Array<FixedDnaEntityResponse.Modification>;
|
|
2532
2338
|
}
|
|
2533
2339
|
|
|
2534
2340
|
export namespace FixedDnaEntityResponse {
|
|
2535
|
-
export interface
|
|
2341
|
+
export interface Modification {
|
|
2536
2342
|
/**
|
|
2537
2343
|
* 0-based index of the residue to modify
|
|
2538
2344
|
*/
|
|
@@ -2546,20 +2352,6 @@ export namespace DesignStartResponse {
|
|
|
2546
2352
|
*/
|
|
2547
2353
|
value: string;
|
|
2548
2354
|
}
|
|
2549
|
-
|
|
2550
|
-
export interface SmilesModificationResponse {
|
|
2551
|
-
/**
|
|
2552
|
-
* 0-based index of the residue to modify
|
|
2553
|
-
*/
|
|
2554
|
-
residue_index: number;
|
|
2555
|
-
|
|
2556
|
-
type: 'smiles';
|
|
2557
|
-
|
|
2558
|
-
/**
|
|
2559
|
-
* SMILES string for the modification
|
|
2560
|
-
*/
|
|
2561
|
-
value: string;
|
|
2562
|
-
}
|
|
2563
2355
|
}
|
|
2564
2356
|
|
|
2565
2357
|
export interface FixedLigandSmilesEntityResponse {
|
|
@@ -2769,7 +2561,7 @@ export namespace DesignStartResponse {
|
|
|
2769
2561
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
2770
2562
|
* listed here are included in the engine run — any chains omitted from this
|
|
2771
2563
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
2772
|
-
* epitope residues, and which are flexible.
|
|
2564
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
2773
2565
|
*/
|
|
2774
2566
|
chain_selection: {
|
|
2775
2567
|
[key: string]:
|
|
@@ -2798,7 +2590,8 @@ export namespace DesignStartResponse {
|
|
|
2798
2590
|
|
|
2799
2591
|
/**
|
|
2800
2592
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
2801
|
-
* indices must be present in crop_residues
|
|
2593
|
+
* indices must be present in crop_residues and must not overlap
|
|
2594
|
+
* non_binding_residues.
|
|
2802
2595
|
*/
|
|
2803
2596
|
epitope_residues?: Array<number>;
|
|
2804
2597
|
|
|
@@ -2807,6 +2600,12 @@ export namespace DesignStartResponse {
|
|
|
2807
2600
|
* regions). All indices must be present in crop_residues.
|
|
2808
2601
|
*/
|
|
2809
2602
|
flexible_residues?: Array<number>;
|
|
2603
|
+
|
|
2604
|
+
/**
|
|
2605
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
2606
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
2607
|
+
*/
|
|
2608
|
+
non_binding_residues?: Array<number>;
|
|
2810
2609
|
}
|
|
2811
2610
|
|
|
2812
2611
|
/**
|
|
@@ -2870,9 +2669,16 @@ export namespace DesignStartResponse {
|
|
|
2870
2669
|
/**
|
|
2871
2670
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
2872
2671
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
2873
|
-
* indices.
|
|
2672
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
2874
2673
|
*/
|
|
2875
2674
|
epitope_residues?: { [key: string]: Array<number> };
|
|
2675
|
+
|
|
2676
|
+
/**
|
|
2677
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
2678
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
2679
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
2680
|
+
*/
|
|
2681
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
2876
2682
|
}
|
|
2877
2683
|
|
|
2878
2684
|
export namespace NoTemplateTargetResponse {
|
|
@@ -2898,13 +2704,11 @@ export namespace DesignStartResponse {
|
|
|
2898
2704
|
* Post-translational modifications. Optional; defaults to an empty list when
|
|
2899
2705
|
* omitted.
|
|
2900
2706
|
*/
|
|
2901
|
-
modifications?: Array<
|
|
2902
|
-
ProteinEntityResponse.CcdModificationResponse | ProteinEntityResponse.SmilesModificationResponse
|
|
2903
|
-
>;
|
|
2707
|
+
modifications?: Array<ProteinEntityResponse.Modification>;
|
|
2904
2708
|
}
|
|
2905
2709
|
|
|
2906
2710
|
export namespace ProteinEntityResponse {
|
|
2907
|
-
export interface
|
|
2711
|
+
export interface Modification {
|
|
2908
2712
|
/**
|
|
2909
2713
|
* 0-based index of the residue to modify
|
|
2910
2714
|
*/
|
|
@@ -2918,20 +2722,6 @@ export namespace DesignStartResponse {
|
|
|
2918
2722
|
*/
|
|
2919
2723
|
value: string;
|
|
2920
2724
|
}
|
|
2921
|
-
|
|
2922
|
-
export interface SmilesModificationResponse {
|
|
2923
|
-
/**
|
|
2924
|
-
* 0-based index of the residue to modify
|
|
2925
|
-
*/
|
|
2926
|
-
residue_index: number;
|
|
2927
|
-
|
|
2928
|
-
type: 'smiles';
|
|
2929
|
-
|
|
2930
|
-
/**
|
|
2931
|
-
* SMILES string for the modification
|
|
2932
|
-
*/
|
|
2933
|
-
value: string;
|
|
2934
|
-
}
|
|
2935
2725
|
}
|
|
2936
2726
|
|
|
2937
2727
|
export interface RnaEntityResponse {
|
|
@@ -2955,13 +2745,11 @@ export namespace DesignStartResponse {
|
|
|
2955
2745
|
/**
|
|
2956
2746
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2957
2747
|
*/
|
|
2958
|
-
modifications?: Array<
|
|
2959
|
-
RnaEntityResponse.CcdModificationResponse | RnaEntityResponse.SmilesModificationResponse
|
|
2960
|
-
>;
|
|
2748
|
+
modifications?: Array<RnaEntityResponse.Modification>;
|
|
2961
2749
|
}
|
|
2962
2750
|
|
|
2963
2751
|
export namespace RnaEntityResponse {
|
|
2964
|
-
export interface
|
|
2752
|
+
export interface Modification {
|
|
2965
2753
|
/**
|
|
2966
2754
|
* 0-based index of the residue to modify
|
|
2967
2755
|
*/
|
|
@@ -2975,20 +2763,6 @@ export namespace DesignStartResponse {
|
|
|
2975
2763
|
*/
|
|
2976
2764
|
value: string;
|
|
2977
2765
|
}
|
|
2978
|
-
|
|
2979
|
-
export interface SmilesModificationResponse {
|
|
2980
|
-
/**
|
|
2981
|
-
* 0-based index of the residue to modify
|
|
2982
|
-
*/
|
|
2983
|
-
residue_index: number;
|
|
2984
|
-
|
|
2985
|
-
type: 'smiles';
|
|
2986
|
-
|
|
2987
|
-
/**
|
|
2988
|
-
* SMILES string for the modification
|
|
2989
|
-
*/
|
|
2990
|
-
value: string;
|
|
2991
|
-
}
|
|
2992
2766
|
}
|
|
2993
2767
|
|
|
2994
2768
|
export interface DnaEntityResponse {
|
|
@@ -3012,13 +2786,11 @@ export namespace DesignStartResponse {
|
|
|
3012
2786
|
/**
|
|
3013
2787
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
3014
2788
|
*/
|
|
3015
|
-
modifications?: Array<
|
|
3016
|
-
DnaEntityResponse.CcdModificationResponse | DnaEntityResponse.SmilesModificationResponse
|
|
3017
|
-
>;
|
|
2789
|
+
modifications?: Array<DnaEntityResponse.Modification>;
|
|
3018
2790
|
}
|
|
3019
2791
|
|
|
3020
2792
|
export namespace DnaEntityResponse {
|
|
3021
|
-
export interface
|
|
2793
|
+
export interface Modification {
|
|
3022
2794
|
/**
|
|
3023
2795
|
* 0-based index of the residue to modify
|
|
3024
2796
|
*/
|
|
@@ -3032,20 +2804,6 @@ export namespace DesignStartResponse {
|
|
|
3032
2804
|
*/
|
|
3033
2805
|
value: string;
|
|
3034
2806
|
}
|
|
3035
|
-
|
|
3036
|
-
export interface SmilesModificationResponse {
|
|
3037
|
-
/**
|
|
3038
|
-
* 0-based index of the residue to modify
|
|
3039
|
-
*/
|
|
3040
|
-
residue_index: number;
|
|
3041
|
-
|
|
3042
|
-
type: 'smiles';
|
|
3043
|
-
|
|
3044
|
-
/**
|
|
3045
|
-
* SMILES string for the modification
|
|
3046
|
-
*/
|
|
3047
|
-
value: string;
|
|
3048
|
-
}
|
|
3049
2807
|
}
|
|
3050
2808
|
|
|
3051
2809
|
export interface LigandCcdEntityResponse {
|
|
@@ -3684,14 +3442,11 @@ export namespace DesignStopResponse {
|
|
|
3684
3442
|
/**
|
|
3685
3443
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
3686
3444
|
*/
|
|
3687
|
-
modifications?: Array<
|
|
3688
|
-
| DesignedProteinEntityResponse.CcdModificationResponse
|
|
3689
|
-
| DesignedProteinEntityResponse.SmilesModificationResponse
|
|
3690
|
-
>;
|
|
3445
|
+
modifications?: Array<DesignedProteinEntityResponse.Modification>;
|
|
3691
3446
|
}
|
|
3692
3447
|
|
|
3693
3448
|
export namespace DesignedProteinEntityResponse {
|
|
3694
|
-
export interface
|
|
3449
|
+
export interface Modification {
|
|
3695
3450
|
/**
|
|
3696
3451
|
* 0-based index of the residue to modify
|
|
3697
3452
|
*/
|
|
@@ -3705,20 +3460,6 @@ export namespace DesignStopResponse {
|
|
|
3705
3460
|
*/
|
|
3706
3461
|
value: string;
|
|
3707
3462
|
}
|
|
3708
|
-
|
|
3709
|
-
export interface SmilesModificationResponse {
|
|
3710
|
-
/**
|
|
3711
|
-
* 0-based index of the residue to modify
|
|
3712
|
-
*/
|
|
3713
|
-
residue_index: number;
|
|
3714
|
-
|
|
3715
|
-
type: 'smiles';
|
|
3716
|
-
|
|
3717
|
-
/**
|
|
3718
|
-
* SMILES string for the modification
|
|
3719
|
-
*/
|
|
3720
|
-
value: string;
|
|
3721
|
-
}
|
|
3722
3463
|
}
|
|
3723
3464
|
|
|
3724
3465
|
/**
|
|
@@ -3745,14 +3486,11 @@ export namespace DesignStopResponse {
|
|
|
3745
3486
|
/**
|
|
3746
3487
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
3747
3488
|
*/
|
|
3748
|
-
modifications?: Array<
|
|
3749
|
-
| FixedProteinEntityResponse.CcdModificationResponse
|
|
3750
|
-
| FixedProteinEntityResponse.SmilesModificationResponse
|
|
3751
|
-
>;
|
|
3489
|
+
modifications?: Array<FixedProteinEntityResponse.Modification>;
|
|
3752
3490
|
}
|
|
3753
3491
|
|
|
3754
3492
|
export namespace FixedProteinEntityResponse {
|
|
3755
|
-
export interface
|
|
3493
|
+
export interface Modification {
|
|
3756
3494
|
/**
|
|
3757
3495
|
* 0-based index of the residue to modify
|
|
3758
3496
|
*/
|
|
@@ -3766,20 +3504,6 @@ export namespace DesignStopResponse {
|
|
|
3766
3504
|
*/
|
|
3767
3505
|
value: string;
|
|
3768
3506
|
}
|
|
3769
|
-
|
|
3770
|
-
export interface SmilesModificationResponse {
|
|
3771
|
-
/**
|
|
3772
|
-
* 0-based index of the residue to modify
|
|
3773
|
-
*/
|
|
3774
|
-
residue_index: number;
|
|
3775
|
-
|
|
3776
|
-
type: 'smiles';
|
|
3777
|
-
|
|
3778
|
-
/**
|
|
3779
|
-
* SMILES string for the modification
|
|
3780
|
-
*/
|
|
3781
|
-
value: string;
|
|
3782
|
-
}
|
|
3783
3507
|
}
|
|
3784
3508
|
|
|
3785
3509
|
export interface FixedRnaEntityResponse {
|
|
@@ -3803,13 +3527,11 @@ export namespace DesignStopResponse {
|
|
|
3803
3527
|
/**
|
|
3804
3528
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
3805
3529
|
*/
|
|
3806
|
-
modifications?: Array<
|
|
3807
|
-
FixedRnaEntityResponse.CcdModificationResponse | FixedRnaEntityResponse.SmilesModificationResponse
|
|
3808
|
-
>;
|
|
3530
|
+
modifications?: Array<FixedRnaEntityResponse.Modification>;
|
|
3809
3531
|
}
|
|
3810
3532
|
|
|
3811
3533
|
export namespace FixedRnaEntityResponse {
|
|
3812
|
-
export interface
|
|
3534
|
+
export interface Modification {
|
|
3813
3535
|
/**
|
|
3814
3536
|
* 0-based index of the residue to modify
|
|
3815
3537
|
*/
|
|
@@ -3823,20 +3545,6 @@ export namespace DesignStopResponse {
|
|
|
3823
3545
|
*/
|
|
3824
3546
|
value: string;
|
|
3825
3547
|
}
|
|
3826
|
-
|
|
3827
|
-
export interface SmilesModificationResponse {
|
|
3828
|
-
/**
|
|
3829
|
-
* 0-based index of the residue to modify
|
|
3830
|
-
*/
|
|
3831
|
-
residue_index: number;
|
|
3832
|
-
|
|
3833
|
-
type: 'smiles';
|
|
3834
|
-
|
|
3835
|
-
/**
|
|
3836
|
-
* SMILES string for the modification
|
|
3837
|
-
*/
|
|
3838
|
-
value: string;
|
|
3839
|
-
}
|
|
3840
3548
|
}
|
|
3841
3549
|
|
|
3842
3550
|
export interface FixedDnaEntityResponse {
|
|
@@ -3860,13 +3568,11 @@ export namespace DesignStopResponse {
|
|
|
3860
3568
|
/**
|
|
3861
3569
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
3862
3570
|
*/
|
|
3863
|
-
modifications?: Array<
|
|
3864
|
-
FixedDnaEntityResponse.CcdModificationResponse | FixedDnaEntityResponse.SmilesModificationResponse
|
|
3865
|
-
>;
|
|
3571
|
+
modifications?: Array<FixedDnaEntityResponse.Modification>;
|
|
3866
3572
|
}
|
|
3867
3573
|
|
|
3868
3574
|
export namespace FixedDnaEntityResponse {
|
|
3869
|
-
export interface
|
|
3575
|
+
export interface Modification {
|
|
3870
3576
|
/**
|
|
3871
3577
|
* 0-based index of the residue to modify
|
|
3872
3578
|
*/
|
|
@@ -3880,20 +3586,6 @@ export namespace DesignStopResponse {
|
|
|
3880
3586
|
*/
|
|
3881
3587
|
value: string;
|
|
3882
3588
|
}
|
|
3883
|
-
|
|
3884
|
-
export interface SmilesModificationResponse {
|
|
3885
|
-
/**
|
|
3886
|
-
* 0-based index of the residue to modify
|
|
3887
|
-
*/
|
|
3888
|
-
residue_index: number;
|
|
3889
|
-
|
|
3890
|
-
type: 'smiles';
|
|
3891
|
-
|
|
3892
|
-
/**
|
|
3893
|
-
* SMILES string for the modification
|
|
3894
|
-
*/
|
|
3895
|
-
value: string;
|
|
3896
|
-
}
|
|
3897
3589
|
}
|
|
3898
3590
|
|
|
3899
3591
|
export interface FixedLigandSmilesEntityResponse {
|
|
@@ -4103,7 +3795,7 @@ export namespace DesignStopResponse {
|
|
|
4103
3795
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
4104
3796
|
* listed here are included in the engine run — any chains omitted from this
|
|
4105
3797
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
4106
|
-
* epitope residues, and which are flexible.
|
|
3798
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
4107
3799
|
*/
|
|
4108
3800
|
chain_selection: {
|
|
4109
3801
|
[key: string]:
|
|
@@ -4132,7 +3824,8 @@ export namespace DesignStopResponse {
|
|
|
4132
3824
|
|
|
4133
3825
|
/**
|
|
4134
3826
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
4135
|
-
* indices must be present in crop_residues
|
|
3827
|
+
* indices must be present in crop_residues and must not overlap
|
|
3828
|
+
* non_binding_residues.
|
|
4136
3829
|
*/
|
|
4137
3830
|
epitope_residues?: Array<number>;
|
|
4138
3831
|
|
|
@@ -4141,6 +3834,12 @@ export namespace DesignStopResponse {
|
|
|
4141
3834
|
* regions). All indices must be present in crop_residues.
|
|
4142
3835
|
*/
|
|
4143
3836
|
flexible_residues?: Array<number>;
|
|
3837
|
+
|
|
3838
|
+
/**
|
|
3839
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
3840
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
3841
|
+
*/
|
|
3842
|
+
non_binding_residues?: Array<number>;
|
|
4144
3843
|
}
|
|
4145
3844
|
|
|
4146
3845
|
/**
|
|
@@ -4204,9 +3903,16 @@ export namespace DesignStopResponse {
|
|
|
4204
3903
|
/**
|
|
4205
3904
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
4206
3905
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
4207
|
-
* indices.
|
|
3906
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
4208
3907
|
*/
|
|
4209
3908
|
epitope_residues?: { [key: string]: Array<number> };
|
|
3909
|
+
|
|
3910
|
+
/**
|
|
3911
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
3912
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
3913
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
3914
|
+
*/
|
|
3915
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
4210
3916
|
}
|
|
4211
3917
|
|
|
4212
3918
|
export namespace NoTemplateTargetResponse {
|
|
@@ -4232,13 +3938,11 @@ export namespace DesignStopResponse {
|
|
|
4232
3938
|
* Post-translational modifications. Optional; defaults to an empty list when
|
|
4233
3939
|
* omitted.
|
|
4234
3940
|
*/
|
|
4235
|
-
modifications?: Array<
|
|
4236
|
-
ProteinEntityResponse.CcdModificationResponse | ProteinEntityResponse.SmilesModificationResponse
|
|
4237
|
-
>;
|
|
3941
|
+
modifications?: Array<ProteinEntityResponse.Modification>;
|
|
4238
3942
|
}
|
|
4239
3943
|
|
|
4240
3944
|
export namespace ProteinEntityResponse {
|
|
4241
|
-
export interface
|
|
3945
|
+
export interface Modification {
|
|
4242
3946
|
/**
|
|
4243
3947
|
* 0-based index of the residue to modify
|
|
4244
3948
|
*/
|
|
@@ -4252,20 +3956,6 @@ export namespace DesignStopResponse {
|
|
|
4252
3956
|
*/
|
|
4253
3957
|
value: string;
|
|
4254
3958
|
}
|
|
4255
|
-
|
|
4256
|
-
export interface SmilesModificationResponse {
|
|
4257
|
-
/**
|
|
4258
|
-
* 0-based index of the residue to modify
|
|
4259
|
-
*/
|
|
4260
|
-
residue_index: number;
|
|
4261
|
-
|
|
4262
|
-
type: 'smiles';
|
|
4263
|
-
|
|
4264
|
-
/**
|
|
4265
|
-
* SMILES string for the modification
|
|
4266
|
-
*/
|
|
4267
|
-
value: string;
|
|
4268
|
-
}
|
|
4269
3959
|
}
|
|
4270
3960
|
|
|
4271
3961
|
export interface RnaEntityResponse {
|
|
@@ -4289,13 +3979,11 @@ export namespace DesignStopResponse {
|
|
|
4289
3979
|
/**
|
|
4290
3980
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
4291
3981
|
*/
|
|
4292
|
-
modifications?: Array<
|
|
4293
|
-
RnaEntityResponse.CcdModificationResponse | RnaEntityResponse.SmilesModificationResponse
|
|
4294
|
-
>;
|
|
3982
|
+
modifications?: Array<RnaEntityResponse.Modification>;
|
|
4295
3983
|
}
|
|
4296
3984
|
|
|
4297
3985
|
export namespace RnaEntityResponse {
|
|
4298
|
-
export interface
|
|
3986
|
+
export interface Modification {
|
|
4299
3987
|
/**
|
|
4300
3988
|
* 0-based index of the residue to modify
|
|
4301
3989
|
*/
|
|
@@ -4309,20 +3997,6 @@ export namespace DesignStopResponse {
|
|
|
4309
3997
|
*/
|
|
4310
3998
|
value: string;
|
|
4311
3999
|
}
|
|
4312
|
-
|
|
4313
|
-
export interface SmilesModificationResponse {
|
|
4314
|
-
/**
|
|
4315
|
-
* 0-based index of the residue to modify
|
|
4316
|
-
*/
|
|
4317
|
-
residue_index: number;
|
|
4318
|
-
|
|
4319
|
-
type: 'smiles';
|
|
4320
|
-
|
|
4321
|
-
/**
|
|
4322
|
-
* SMILES string for the modification
|
|
4323
|
-
*/
|
|
4324
|
-
value: string;
|
|
4325
|
-
}
|
|
4326
4000
|
}
|
|
4327
4001
|
|
|
4328
4002
|
export interface DnaEntityResponse {
|
|
@@ -4346,13 +4020,11 @@ export namespace DesignStopResponse {
|
|
|
4346
4020
|
/**
|
|
4347
4021
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
4348
4022
|
*/
|
|
4349
|
-
modifications?: Array<
|
|
4350
|
-
DnaEntityResponse.CcdModificationResponse | DnaEntityResponse.SmilesModificationResponse
|
|
4351
|
-
>;
|
|
4023
|
+
modifications?: Array<DnaEntityResponse.Modification>;
|
|
4352
4024
|
}
|
|
4353
4025
|
|
|
4354
4026
|
export namespace DnaEntityResponse {
|
|
4355
|
-
export interface
|
|
4027
|
+
export interface Modification {
|
|
4356
4028
|
/**
|
|
4357
4029
|
* 0-based index of the residue to modify
|
|
4358
4030
|
*/
|
|
@@ -4366,20 +4038,6 @@ export namespace DesignStopResponse {
|
|
|
4366
4038
|
*/
|
|
4367
4039
|
value: string;
|
|
4368
4040
|
}
|
|
4369
|
-
|
|
4370
|
-
export interface SmilesModificationResponse {
|
|
4371
|
-
/**
|
|
4372
|
-
* 0-based index of the residue to modify
|
|
4373
|
-
*/
|
|
4374
|
-
residue_index: number;
|
|
4375
|
-
|
|
4376
|
-
type: 'smiles';
|
|
4377
|
-
|
|
4378
|
-
/**
|
|
4379
|
-
* SMILES string for the modification
|
|
4380
|
-
*/
|
|
4381
|
-
value: string;
|
|
4382
|
-
}
|
|
4383
4041
|
}
|
|
4384
4042
|
|
|
4385
4043
|
export interface LigandCcdEntityResponse {
|
|
@@ -4965,11 +4623,11 @@ export namespace DesignEstimateCostParams {
|
|
|
4965
4623
|
/**
|
|
4966
4624
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
4967
4625
|
*/
|
|
4968
|
-
modifications?: Array<DesignedProteinEntity.
|
|
4626
|
+
modifications?: Array<DesignedProteinEntity.Modification>;
|
|
4969
4627
|
}
|
|
4970
4628
|
|
|
4971
4629
|
export namespace DesignedProteinEntity {
|
|
4972
|
-
export interface
|
|
4630
|
+
export interface Modification {
|
|
4973
4631
|
/**
|
|
4974
4632
|
* 0-based index of the residue to modify
|
|
4975
4633
|
*/
|
|
@@ -4983,20 +4641,6 @@ export namespace DesignEstimateCostParams {
|
|
|
4983
4641
|
*/
|
|
4984
4642
|
value: string;
|
|
4985
4643
|
}
|
|
4986
|
-
|
|
4987
|
-
export interface SmilesModification {
|
|
4988
|
-
/**
|
|
4989
|
-
* 0-based index of the residue to modify
|
|
4990
|
-
*/
|
|
4991
|
-
residue_index: number;
|
|
4992
|
-
|
|
4993
|
-
type: 'smiles';
|
|
4994
|
-
|
|
4995
|
-
/**
|
|
4996
|
-
* SMILES string for the modification
|
|
4997
|
-
*/
|
|
4998
|
-
value: string;
|
|
4999
|
-
}
|
|
5000
4644
|
}
|
|
5001
4645
|
|
|
5002
4646
|
/**
|
|
@@ -5023,11 +4667,11 @@ export namespace DesignEstimateCostParams {
|
|
|
5023
4667
|
/**
|
|
5024
4668
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
5025
4669
|
*/
|
|
5026
|
-
modifications?: Array<FixedProteinEntity.
|
|
4670
|
+
modifications?: Array<FixedProteinEntity.Modification>;
|
|
5027
4671
|
}
|
|
5028
4672
|
|
|
5029
4673
|
export namespace FixedProteinEntity {
|
|
5030
|
-
export interface
|
|
4674
|
+
export interface Modification {
|
|
5031
4675
|
/**
|
|
5032
4676
|
* 0-based index of the residue to modify
|
|
5033
4677
|
*/
|
|
@@ -5041,20 +4685,6 @@ export namespace DesignEstimateCostParams {
|
|
|
5041
4685
|
*/
|
|
5042
4686
|
value: string;
|
|
5043
4687
|
}
|
|
5044
|
-
|
|
5045
|
-
export interface SmilesModification {
|
|
5046
|
-
/**
|
|
5047
|
-
* 0-based index of the residue to modify
|
|
5048
|
-
*/
|
|
5049
|
-
residue_index: number;
|
|
5050
|
-
|
|
5051
|
-
type: 'smiles';
|
|
5052
|
-
|
|
5053
|
-
/**
|
|
5054
|
-
* SMILES string for the modification
|
|
5055
|
-
*/
|
|
5056
|
-
value: string;
|
|
5057
|
-
}
|
|
5058
4688
|
}
|
|
5059
4689
|
|
|
5060
4690
|
export interface FixedRnaEntity {
|
|
@@ -5078,11 +4708,11 @@ export namespace DesignEstimateCostParams {
|
|
|
5078
4708
|
/**
|
|
5079
4709
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
5080
4710
|
*/
|
|
5081
|
-
modifications?: Array<FixedRnaEntity.
|
|
4711
|
+
modifications?: Array<FixedRnaEntity.Modification>;
|
|
5082
4712
|
}
|
|
5083
4713
|
|
|
5084
4714
|
export namespace FixedRnaEntity {
|
|
5085
|
-
export interface
|
|
4715
|
+
export interface Modification {
|
|
5086
4716
|
/**
|
|
5087
4717
|
* 0-based index of the residue to modify
|
|
5088
4718
|
*/
|
|
@@ -5096,20 +4726,6 @@ export namespace DesignEstimateCostParams {
|
|
|
5096
4726
|
*/
|
|
5097
4727
|
value: string;
|
|
5098
4728
|
}
|
|
5099
|
-
|
|
5100
|
-
export interface SmilesModification {
|
|
5101
|
-
/**
|
|
5102
|
-
* 0-based index of the residue to modify
|
|
5103
|
-
*/
|
|
5104
|
-
residue_index: number;
|
|
5105
|
-
|
|
5106
|
-
type: 'smiles';
|
|
5107
|
-
|
|
5108
|
-
/**
|
|
5109
|
-
* SMILES string for the modification
|
|
5110
|
-
*/
|
|
5111
|
-
value: string;
|
|
5112
|
-
}
|
|
5113
4729
|
}
|
|
5114
4730
|
|
|
5115
4731
|
export interface FixedDnaEntity {
|
|
@@ -5133,11 +4749,11 @@ export namespace DesignEstimateCostParams {
|
|
|
5133
4749
|
/**
|
|
5134
4750
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
5135
4751
|
*/
|
|
5136
|
-
modifications?: Array<FixedDnaEntity.
|
|
4752
|
+
modifications?: Array<FixedDnaEntity.Modification>;
|
|
5137
4753
|
}
|
|
5138
4754
|
|
|
5139
4755
|
export namespace FixedDnaEntity {
|
|
5140
|
-
export interface
|
|
4756
|
+
export interface Modification {
|
|
5141
4757
|
/**
|
|
5142
4758
|
* 0-based index of the residue to modify
|
|
5143
4759
|
*/
|
|
@@ -5151,20 +4767,6 @@ export namespace DesignEstimateCostParams {
|
|
|
5151
4767
|
*/
|
|
5152
4768
|
value: string;
|
|
5153
4769
|
}
|
|
5154
|
-
|
|
5155
|
-
export interface SmilesModification {
|
|
5156
|
-
/**
|
|
5157
|
-
* 0-based index of the residue to modify
|
|
5158
|
-
*/
|
|
5159
|
-
residue_index: number;
|
|
5160
|
-
|
|
5161
|
-
type: 'smiles';
|
|
5162
|
-
|
|
5163
|
-
/**
|
|
5164
|
-
* SMILES string for the modification
|
|
5165
|
-
*/
|
|
5166
|
-
value: string;
|
|
5167
|
-
}
|
|
5168
4770
|
}
|
|
5169
4771
|
|
|
5170
4772
|
export interface FixedLigandSmilesEntity {
|
|
@@ -5374,7 +4976,7 @@ export namespace DesignEstimateCostParams {
|
|
|
5374
4976
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
5375
4977
|
* listed here are included in the engine run — any chains omitted from this
|
|
5376
4978
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
5377
|
-
* epitope residues, and which are flexible.
|
|
4979
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
5378
4980
|
*/
|
|
5379
4981
|
chain_selection: {
|
|
5380
4982
|
[key: string]:
|
|
@@ -5407,7 +5009,8 @@ export namespace DesignEstimateCostParams {
|
|
|
5407
5009
|
|
|
5408
5010
|
/**
|
|
5409
5011
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
5410
|
-
* indices must be present in crop_residues
|
|
5012
|
+
* indices must be present in crop_residues and must not overlap
|
|
5013
|
+
* non_binding_residues.
|
|
5411
5014
|
*/
|
|
5412
5015
|
epitope_residues?: Array<number>;
|
|
5413
5016
|
|
|
@@ -5416,6 +5019,12 @@ export namespace DesignEstimateCostParams {
|
|
|
5416
5019
|
* regions). All indices must be present in crop_residues.
|
|
5417
5020
|
*/
|
|
5418
5021
|
flexible_residues?: Array<number>;
|
|
5022
|
+
|
|
5023
|
+
/**
|
|
5024
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
5025
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
5026
|
+
*/
|
|
5027
|
+
non_binding_residues?: Array<number>;
|
|
5419
5028
|
}
|
|
5420
5029
|
|
|
5421
5030
|
/**
|
|
@@ -5485,9 +5094,16 @@ export namespace DesignEstimateCostParams {
|
|
|
5485
5094
|
/**
|
|
5486
5095
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
5487
5096
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
5488
|
-
* indices.
|
|
5097
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
5489
5098
|
*/
|
|
5490
5099
|
epitope_residues?: { [key: string]: Array<number> };
|
|
5100
|
+
|
|
5101
|
+
/**
|
|
5102
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
5103
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
5104
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
5105
|
+
*/
|
|
5106
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
5491
5107
|
}
|
|
5492
5108
|
|
|
5493
5109
|
export namespace NoTemplateTarget {
|
|
@@ -5513,11 +5129,11 @@ export namespace DesignEstimateCostParams {
|
|
|
5513
5129
|
* Post-translational modifications. Optional; defaults to an empty list when
|
|
5514
5130
|
* omitted.
|
|
5515
5131
|
*/
|
|
5516
|
-
modifications?: Array<ProteinEntity.
|
|
5132
|
+
modifications?: Array<ProteinEntity.Modification>;
|
|
5517
5133
|
}
|
|
5518
5134
|
|
|
5519
5135
|
export namespace ProteinEntity {
|
|
5520
|
-
export interface
|
|
5136
|
+
export interface Modification {
|
|
5521
5137
|
/**
|
|
5522
5138
|
* 0-based index of the residue to modify
|
|
5523
5139
|
*/
|
|
@@ -5531,20 +5147,6 @@ export namespace DesignEstimateCostParams {
|
|
|
5531
5147
|
*/
|
|
5532
5148
|
value: string;
|
|
5533
5149
|
}
|
|
5534
|
-
|
|
5535
|
-
export interface SmilesModification {
|
|
5536
|
-
/**
|
|
5537
|
-
* 0-based index of the residue to modify
|
|
5538
|
-
*/
|
|
5539
|
-
residue_index: number;
|
|
5540
|
-
|
|
5541
|
-
type: 'smiles';
|
|
5542
|
-
|
|
5543
|
-
/**
|
|
5544
|
-
* SMILES string for the modification
|
|
5545
|
-
*/
|
|
5546
|
-
value: string;
|
|
5547
|
-
}
|
|
5548
5150
|
}
|
|
5549
5151
|
|
|
5550
5152
|
export interface RnaEntity {
|
|
@@ -5568,11 +5170,11 @@ export namespace DesignEstimateCostParams {
|
|
|
5568
5170
|
/**
|
|
5569
5171
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
5570
5172
|
*/
|
|
5571
|
-
modifications?: Array<RnaEntity.
|
|
5173
|
+
modifications?: Array<RnaEntity.Modification>;
|
|
5572
5174
|
}
|
|
5573
5175
|
|
|
5574
5176
|
export namespace RnaEntity {
|
|
5575
|
-
export interface
|
|
5177
|
+
export interface Modification {
|
|
5576
5178
|
/**
|
|
5577
5179
|
* 0-based index of the residue to modify
|
|
5578
5180
|
*/
|
|
@@ -5586,20 +5188,6 @@ export namespace DesignEstimateCostParams {
|
|
|
5586
5188
|
*/
|
|
5587
5189
|
value: string;
|
|
5588
5190
|
}
|
|
5589
|
-
|
|
5590
|
-
export interface SmilesModification {
|
|
5591
|
-
/**
|
|
5592
|
-
* 0-based index of the residue to modify
|
|
5593
|
-
*/
|
|
5594
|
-
residue_index: number;
|
|
5595
|
-
|
|
5596
|
-
type: 'smiles';
|
|
5597
|
-
|
|
5598
|
-
/**
|
|
5599
|
-
* SMILES string for the modification
|
|
5600
|
-
*/
|
|
5601
|
-
value: string;
|
|
5602
|
-
}
|
|
5603
5191
|
}
|
|
5604
5192
|
|
|
5605
5193
|
export interface DnaEntity {
|
|
@@ -5623,11 +5211,11 @@ export namespace DesignEstimateCostParams {
|
|
|
5623
5211
|
/**
|
|
5624
5212
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
5625
5213
|
*/
|
|
5626
|
-
modifications?: Array<DnaEntity.
|
|
5214
|
+
modifications?: Array<DnaEntity.Modification>;
|
|
5627
5215
|
}
|
|
5628
5216
|
|
|
5629
5217
|
export namespace DnaEntity {
|
|
5630
|
-
export interface
|
|
5218
|
+
export interface Modification {
|
|
5631
5219
|
/**
|
|
5632
5220
|
* 0-based index of the residue to modify
|
|
5633
5221
|
*/
|
|
@@ -5641,20 +5229,6 @@ export namespace DesignEstimateCostParams {
|
|
|
5641
5229
|
*/
|
|
5642
5230
|
value: string;
|
|
5643
5231
|
}
|
|
5644
|
-
|
|
5645
|
-
export interface SmilesModification {
|
|
5646
|
-
/**
|
|
5647
|
-
* 0-based index of the residue to modify
|
|
5648
|
-
*/
|
|
5649
|
-
residue_index: number;
|
|
5650
|
-
|
|
5651
|
-
type: 'smiles';
|
|
5652
|
-
|
|
5653
|
-
/**
|
|
5654
|
-
* SMILES string for the modification
|
|
5655
|
-
*/
|
|
5656
|
-
value: string;
|
|
5657
|
-
}
|
|
5658
5232
|
}
|
|
5659
5233
|
|
|
5660
5234
|
export interface LigandCcdEntity {
|
|
@@ -6209,11 +5783,11 @@ export namespace DesignStartParams {
|
|
|
6209
5783
|
/**
|
|
6210
5784
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
6211
5785
|
*/
|
|
6212
|
-
modifications?: Array<DesignedProteinEntity.
|
|
5786
|
+
modifications?: Array<DesignedProteinEntity.Modification>;
|
|
6213
5787
|
}
|
|
6214
5788
|
|
|
6215
5789
|
export namespace DesignedProteinEntity {
|
|
6216
|
-
export interface
|
|
5790
|
+
export interface Modification {
|
|
6217
5791
|
/**
|
|
6218
5792
|
* 0-based index of the residue to modify
|
|
6219
5793
|
*/
|
|
@@ -6227,20 +5801,6 @@ export namespace DesignStartParams {
|
|
|
6227
5801
|
*/
|
|
6228
5802
|
value: string;
|
|
6229
5803
|
}
|
|
6230
|
-
|
|
6231
|
-
export interface SmilesModification {
|
|
6232
|
-
/**
|
|
6233
|
-
* 0-based index of the residue to modify
|
|
6234
|
-
*/
|
|
6235
|
-
residue_index: number;
|
|
6236
|
-
|
|
6237
|
-
type: 'smiles';
|
|
6238
|
-
|
|
6239
|
-
/**
|
|
6240
|
-
* SMILES string for the modification
|
|
6241
|
-
*/
|
|
6242
|
-
value: string;
|
|
6243
|
-
}
|
|
6244
5804
|
}
|
|
6245
5805
|
|
|
6246
5806
|
/**
|
|
@@ -6267,11 +5827,11 @@ export namespace DesignStartParams {
|
|
|
6267
5827
|
/**
|
|
6268
5828
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
6269
5829
|
*/
|
|
6270
|
-
modifications?: Array<FixedProteinEntity.
|
|
5830
|
+
modifications?: Array<FixedProteinEntity.Modification>;
|
|
6271
5831
|
}
|
|
6272
5832
|
|
|
6273
5833
|
export namespace FixedProteinEntity {
|
|
6274
|
-
export interface
|
|
5834
|
+
export interface Modification {
|
|
6275
5835
|
/**
|
|
6276
5836
|
* 0-based index of the residue to modify
|
|
6277
5837
|
*/
|
|
@@ -6285,20 +5845,6 @@ export namespace DesignStartParams {
|
|
|
6285
5845
|
*/
|
|
6286
5846
|
value: string;
|
|
6287
5847
|
}
|
|
6288
|
-
|
|
6289
|
-
export interface SmilesModification {
|
|
6290
|
-
/**
|
|
6291
|
-
* 0-based index of the residue to modify
|
|
6292
|
-
*/
|
|
6293
|
-
residue_index: number;
|
|
6294
|
-
|
|
6295
|
-
type: 'smiles';
|
|
6296
|
-
|
|
6297
|
-
/**
|
|
6298
|
-
* SMILES string for the modification
|
|
6299
|
-
*/
|
|
6300
|
-
value: string;
|
|
6301
|
-
}
|
|
6302
5848
|
}
|
|
6303
5849
|
|
|
6304
5850
|
export interface FixedRnaEntity {
|
|
@@ -6322,11 +5868,11 @@ export namespace DesignStartParams {
|
|
|
6322
5868
|
/**
|
|
6323
5869
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
6324
5870
|
*/
|
|
6325
|
-
modifications?: Array<FixedRnaEntity.
|
|
5871
|
+
modifications?: Array<FixedRnaEntity.Modification>;
|
|
6326
5872
|
}
|
|
6327
5873
|
|
|
6328
5874
|
export namespace FixedRnaEntity {
|
|
6329
|
-
export interface
|
|
5875
|
+
export interface Modification {
|
|
6330
5876
|
/**
|
|
6331
5877
|
* 0-based index of the residue to modify
|
|
6332
5878
|
*/
|
|
@@ -6340,20 +5886,6 @@ export namespace DesignStartParams {
|
|
|
6340
5886
|
*/
|
|
6341
5887
|
value: string;
|
|
6342
5888
|
}
|
|
6343
|
-
|
|
6344
|
-
export interface SmilesModification {
|
|
6345
|
-
/**
|
|
6346
|
-
* 0-based index of the residue to modify
|
|
6347
|
-
*/
|
|
6348
|
-
residue_index: number;
|
|
6349
|
-
|
|
6350
|
-
type: 'smiles';
|
|
6351
|
-
|
|
6352
|
-
/**
|
|
6353
|
-
* SMILES string for the modification
|
|
6354
|
-
*/
|
|
6355
|
-
value: string;
|
|
6356
|
-
}
|
|
6357
5889
|
}
|
|
6358
5890
|
|
|
6359
5891
|
export interface FixedDnaEntity {
|
|
@@ -6377,11 +5909,11 @@ export namespace DesignStartParams {
|
|
|
6377
5909
|
/**
|
|
6378
5910
|
* Optional polymer modifications. Defaults to [] when omitted.
|
|
6379
5911
|
*/
|
|
6380
|
-
modifications?: Array<FixedDnaEntity.
|
|
5912
|
+
modifications?: Array<FixedDnaEntity.Modification>;
|
|
6381
5913
|
}
|
|
6382
5914
|
|
|
6383
5915
|
export namespace FixedDnaEntity {
|
|
6384
|
-
export interface
|
|
5916
|
+
export interface Modification {
|
|
6385
5917
|
/**
|
|
6386
5918
|
* 0-based index of the residue to modify
|
|
6387
5919
|
*/
|
|
@@ -6395,20 +5927,6 @@ export namespace DesignStartParams {
|
|
|
6395
5927
|
*/
|
|
6396
5928
|
value: string;
|
|
6397
5929
|
}
|
|
6398
|
-
|
|
6399
|
-
export interface SmilesModification {
|
|
6400
|
-
/**
|
|
6401
|
-
* 0-based index of the residue to modify
|
|
6402
|
-
*/
|
|
6403
|
-
residue_index: number;
|
|
6404
|
-
|
|
6405
|
-
type: 'smiles';
|
|
6406
|
-
|
|
6407
|
-
/**
|
|
6408
|
-
* SMILES string for the modification
|
|
6409
|
-
*/
|
|
6410
|
-
value: string;
|
|
6411
|
-
}
|
|
6412
5930
|
}
|
|
6413
5931
|
|
|
6414
5932
|
export interface FixedLigandSmilesEntity {
|
|
@@ -6618,7 +6136,7 @@ export namespace DesignStartParams {
|
|
|
6618
6136
|
* Chains selected from the uploaded structure, keyed by chain ID. Only chains
|
|
6619
6137
|
* listed here are included in the engine run — any chains omitted from this
|
|
6620
6138
|
* mapping are ignored. Each value defines which residues to keep, which are
|
|
6621
|
-
* epitope residues, and which are flexible.
|
|
6139
|
+
* epitope residues, which are non-binding residues, and which are flexible.
|
|
6622
6140
|
*/
|
|
6623
6141
|
chain_selection: {
|
|
6624
6142
|
[key: string]:
|
|
@@ -6651,7 +6169,8 @@ export namespace DesignStartParams {
|
|
|
6651
6169
|
|
|
6652
6170
|
/**
|
|
6653
6171
|
* 0-indexed residue indices where binder contact is desired (the epitope). All
|
|
6654
|
-
* indices must be present in crop_residues
|
|
6172
|
+
* indices must be present in crop_residues and must not overlap
|
|
6173
|
+
* non_binding_residues.
|
|
6655
6174
|
*/
|
|
6656
6175
|
epitope_residues?: Array<number>;
|
|
6657
6176
|
|
|
@@ -6660,6 +6179,12 @@ export namespace DesignStartParams {
|
|
|
6660
6179
|
* regions). All indices must be present in crop_residues.
|
|
6661
6180
|
*/
|
|
6662
6181
|
flexible_residues?: Array<number>;
|
|
6182
|
+
|
|
6183
|
+
/**
|
|
6184
|
+
* 0-indexed residue indices where binder contact should be discouraged. All
|
|
6185
|
+
* indices must be present in crop_residues and must not overlap epitope_residues.
|
|
6186
|
+
*/
|
|
6187
|
+
non_binding_residues?: Array<number>;
|
|
6663
6188
|
}
|
|
6664
6189
|
|
|
6665
6190
|
/**
|
|
@@ -6729,9 +6254,16 @@ export namespace DesignStartParams {
|
|
|
6729
6254
|
/**
|
|
6730
6255
|
* Polymer chain residues where binder contact is desired (the epitope). Each key
|
|
6731
6256
|
* is a chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
6732
|
-
* indices.
|
|
6257
|
+
* indices. Residues must not overlap non_binding_residues on the same chain.
|
|
6733
6258
|
*/
|
|
6734
6259
|
epitope_residues?: { [key: string]: Array<number> };
|
|
6260
|
+
|
|
6261
|
+
/**
|
|
6262
|
+
* Polymer chain residues where binder contact should be discouraged. Each key is a
|
|
6263
|
+
* chain ID of a polymer entity, each value is an array of 0-indexed residue
|
|
6264
|
+
* indices. Residues must not overlap epitope_residues on the same chain.
|
|
6265
|
+
*/
|
|
6266
|
+
non_binding_residues?: { [key: string]: Array<number> };
|
|
6735
6267
|
}
|
|
6736
6268
|
|
|
6737
6269
|
export namespace NoTemplateTarget {
|
|
@@ -6757,11 +6289,11 @@ export namespace DesignStartParams {
|
|
|
6757
6289
|
* Post-translational modifications. Optional; defaults to an empty list when
|
|
6758
6290
|
* omitted.
|
|
6759
6291
|
*/
|
|
6760
|
-
modifications?: Array<ProteinEntity.
|
|
6292
|
+
modifications?: Array<ProteinEntity.Modification>;
|
|
6761
6293
|
}
|
|
6762
6294
|
|
|
6763
6295
|
export namespace ProteinEntity {
|
|
6764
|
-
export interface
|
|
6296
|
+
export interface Modification {
|
|
6765
6297
|
/**
|
|
6766
6298
|
* 0-based index of the residue to modify
|
|
6767
6299
|
*/
|
|
@@ -6775,20 +6307,6 @@ export namespace DesignStartParams {
|
|
|
6775
6307
|
*/
|
|
6776
6308
|
value: string;
|
|
6777
6309
|
}
|
|
6778
|
-
|
|
6779
|
-
export interface SmilesModification {
|
|
6780
|
-
/**
|
|
6781
|
-
* 0-based index of the residue to modify
|
|
6782
|
-
*/
|
|
6783
|
-
residue_index: number;
|
|
6784
|
-
|
|
6785
|
-
type: 'smiles';
|
|
6786
|
-
|
|
6787
|
-
/**
|
|
6788
|
-
* SMILES string for the modification
|
|
6789
|
-
*/
|
|
6790
|
-
value: string;
|
|
6791
|
-
}
|
|
6792
6310
|
}
|
|
6793
6311
|
|
|
6794
6312
|
export interface RnaEntity {
|
|
@@ -6812,11 +6330,11 @@ export namespace DesignStartParams {
|
|
|
6812
6330
|
/**
|
|
6813
6331
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
6814
6332
|
*/
|
|
6815
|
-
modifications?: Array<RnaEntity.
|
|
6333
|
+
modifications?: Array<RnaEntity.Modification>;
|
|
6816
6334
|
}
|
|
6817
6335
|
|
|
6818
6336
|
export namespace RnaEntity {
|
|
6819
|
-
export interface
|
|
6337
|
+
export interface Modification {
|
|
6820
6338
|
/**
|
|
6821
6339
|
* 0-based index of the residue to modify
|
|
6822
6340
|
*/
|
|
@@ -6830,20 +6348,6 @@ export namespace DesignStartParams {
|
|
|
6830
6348
|
*/
|
|
6831
6349
|
value: string;
|
|
6832
6350
|
}
|
|
6833
|
-
|
|
6834
|
-
export interface SmilesModification {
|
|
6835
|
-
/**
|
|
6836
|
-
* 0-based index of the residue to modify
|
|
6837
|
-
*/
|
|
6838
|
-
residue_index: number;
|
|
6839
|
-
|
|
6840
|
-
type: 'smiles';
|
|
6841
|
-
|
|
6842
|
-
/**
|
|
6843
|
-
* SMILES string for the modification
|
|
6844
|
-
*/
|
|
6845
|
-
value: string;
|
|
6846
|
-
}
|
|
6847
6351
|
}
|
|
6848
6352
|
|
|
6849
6353
|
export interface DnaEntity {
|
|
@@ -6867,11 +6371,11 @@ export namespace DesignStartParams {
|
|
|
6867
6371
|
/**
|
|
6868
6372
|
* Chemical modifications. Optional; defaults to an empty list when omitted.
|
|
6869
6373
|
*/
|
|
6870
|
-
modifications?: Array<DnaEntity.
|
|
6374
|
+
modifications?: Array<DnaEntity.Modification>;
|
|
6871
6375
|
}
|
|
6872
6376
|
|
|
6873
6377
|
export namespace DnaEntity {
|
|
6874
|
-
export interface
|
|
6378
|
+
export interface Modification {
|
|
6875
6379
|
/**
|
|
6876
6380
|
* 0-based index of the residue to modify
|
|
6877
6381
|
*/
|
|
@@ -6885,20 +6389,6 @@ export namespace DesignStartParams {
|
|
|
6885
6389
|
*/
|
|
6886
6390
|
value: string;
|
|
6887
6391
|
}
|
|
6888
|
-
|
|
6889
|
-
export interface SmilesModification {
|
|
6890
|
-
/**
|
|
6891
|
-
* 0-based index of the residue to modify
|
|
6892
|
-
*/
|
|
6893
|
-
residue_index: number;
|
|
6894
|
-
|
|
6895
|
-
type: 'smiles';
|
|
6896
|
-
|
|
6897
|
-
/**
|
|
6898
|
-
* SMILES string for the modification
|
|
6899
|
-
*/
|
|
6900
|
-
value: string;
|
|
6901
|
-
}
|
|
6902
6392
|
}
|
|
6903
6393
|
|
|
6904
6394
|
export interface LigandCcdEntity {
|