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.
Files changed (221) hide show
  1. package/CHANGELOG.md +75 -0
  2. package/api-promise.d.mts +1 -0
  3. package/api-promise.d.mts.map +1 -1
  4. package/api-promise.d.ts +1 -0
  5. package/api-promise.d.ts.map +1 -1
  6. package/api-promise.mjs +1 -0
  7. package/api-promise.mjs.map +1 -1
  8. package/client.d.mts.map +1 -1
  9. package/client.d.ts.map +1 -1
  10. package/client.mjs.map +1 -1
  11. package/core/api-promise.d.mts.map +1 -1
  12. package/core/api-promise.d.ts.map +1 -1
  13. package/core/api-promise.mjs.map +1 -1
  14. package/core/error.mjs.map +1 -1
  15. package/core/pagination.d.mts.map +1 -1
  16. package/core/pagination.d.ts.map +1 -1
  17. package/core/pagination.mjs.map +1 -1
  18. package/core/resource.d.mts.map +1 -1
  19. package/core/resource.d.ts.map +1 -1
  20. package/core/uploads.d.mts.map +1 -1
  21. package/core/uploads.d.ts.map +1 -1
  22. package/core/uploads.mjs.map +1 -1
  23. package/error.d.mts +1 -0
  24. package/error.d.mts.map +1 -1
  25. package/error.d.ts +1 -0
  26. package/error.d.ts.map +1 -1
  27. package/error.mjs +1 -0
  28. package/error.mjs.map +1 -1
  29. package/index.d.mts.map +1 -1
  30. package/index.d.ts.map +1 -1
  31. package/index.mjs.map +1 -1
  32. package/internal/detect-platform.mjs.map +1 -1
  33. package/internal/headers.mjs.map +1 -1
  34. package/internal/parse.d.mts.map +1 -1
  35. package/internal/parse.d.ts.map +1 -1
  36. package/internal/parse.mjs.map +1 -1
  37. package/internal/qs/formats.d.mts.map +1 -1
  38. package/internal/qs/formats.d.ts.map +1 -1
  39. package/internal/qs/index.d.mts +2 -2
  40. package/internal/qs/index.d.mts.map +1 -1
  41. package/internal/qs/index.d.ts +2 -2
  42. package/internal/qs/index.d.ts.map +1 -1
  43. package/internal/qs/index.mjs.map +1 -1
  44. package/internal/qs/stringify.d.mts.map +1 -1
  45. package/internal/qs/stringify.d.ts.map +1 -1
  46. package/internal/qs/stringify.mjs.map +1 -1
  47. package/internal/qs/utils.d.mts.map +1 -1
  48. package/internal/qs/utils.d.ts.map +1 -1
  49. package/internal/qs/utils.mjs.map +1 -1
  50. package/internal/request-options.d.mts.map +1 -1
  51. package/internal/request-options.d.ts.map +1 -1
  52. package/internal/shims.d.mts +6 -0
  53. package/internal/shims.d.mts.map +1 -1
  54. package/internal/shims.d.ts +6 -0
  55. package/internal/shims.d.ts.map +1 -1
  56. package/internal/to-file.d.mts.map +1 -1
  57. package/internal/to-file.d.ts.map +1 -1
  58. package/internal/to-file.mjs.map +1 -1
  59. package/internal/types.d.mts +4 -4
  60. package/internal/types.d.mts.map +1 -1
  61. package/internal/types.d.ts +4 -4
  62. package/internal/types.d.ts.map +1 -1
  63. package/internal/uploads.d.mts.map +1 -1
  64. package/internal/uploads.d.ts.map +1 -1
  65. package/internal/uploads.mjs.map +1 -1
  66. package/internal/utils/base64.mjs.map +1 -1
  67. package/internal/utils/log.d.mts.map +1 -1
  68. package/internal/utils/log.d.ts.map +1 -1
  69. package/internal/utils/log.mjs.map +1 -1
  70. package/internal/utils/path.mjs.map +1 -1
  71. package/internal/utils/query.mjs.map +1 -1
  72. package/internal/utils/values.mjs.map +1 -1
  73. package/internal/utils.d.mts.map +1 -1
  74. package/internal/utils.d.ts.map +1 -1
  75. package/internal/utils.mjs.map +1 -1
  76. package/package.json +1 -1
  77. package/pagination.d.mts +1 -0
  78. package/pagination.d.mts.map +1 -1
  79. package/pagination.d.ts +1 -0
  80. package/pagination.d.ts.map +1 -1
  81. package/pagination.mjs +1 -0
  82. package/pagination.mjs.map +1 -1
  83. package/resource.d.mts +1 -0
  84. package/resource.d.mts.map +1 -1
  85. package/resource.d.ts +1 -0
  86. package/resource.d.ts.map +1 -1
  87. package/resource.mjs +1 -0
  88. package/resource.mjs.map +1 -1
  89. package/resources/admin/admin.d.mts +2 -2
  90. package/resources/admin/admin.d.mts.map +1 -1
  91. package/resources/admin/admin.d.ts +2 -2
  92. package/resources/admin/admin.d.ts.map +1 -1
  93. package/resources/admin/admin.js.map +1 -1
  94. package/resources/admin/admin.mjs.map +1 -1
  95. package/resources/admin/api-keys.d.mts.map +1 -1
  96. package/resources/admin/api-keys.d.ts.map +1 -1
  97. package/resources/admin/api-keys.mjs.map +1 -1
  98. package/resources/admin/index.d.mts +1 -1
  99. package/resources/admin/index.d.mts.map +1 -1
  100. package/resources/admin/index.d.ts +1 -1
  101. package/resources/admin/index.d.ts.map +1 -1
  102. package/resources/admin/index.js.map +1 -1
  103. package/resources/admin/index.mjs.map +1 -1
  104. package/resources/admin/usage.d.mts.map +1 -1
  105. package/resources/admin/usage.d.ts.map +1 -1
  106. package/resources/admin/usage.mjs.map +1 -1
  107. package/resources/admin/workspaces.d.mts +94 -1
  108. package/resources/admin/workspaces.d.mts.map +1 -1
  109. package/resources/admin/workspaces.d.ts +94 -1
  110. package/resources/admin/workspaces.d.ts.map +1 -1
  111. package/resources/admin/workspaces.js +15 -0
  112. package/resources/admin/workspaces.js.map +1 -1
  113. package/resources/admin/workspaces.mjs +15 -0
  114. package/resources/admin/workspaces.mjs.map +1 -1
  115. package/resources/admin.d.mts.map +1 -1
  116. package/resources/admin.d.ts.map +1 -1
  117. package/resources/admin.mjs.map +1 -1
  118. package/resources/auth.d.mts.map +1 -1
  119. package/resources/auth.d.ts.map +1 -1
  120. package/resources/auth.mjs.map +1 -1
  121. package/resources/cli.d.mts.map +1 -1
  122. package/resources/cli.d.ts.map +1 -1
  123. package/resources/cli.mjs.map +1 -1
  124. package/resources/index.d.mts.map +1 -1
  125. package/resources/index.d.ts.map +1 -1
  126. package/resources/index.mjs.map +1 -1
  127. package/resources/predictions/adme.d.mts +539 -0
  128. package/resources/predictions/adme.d.mts.map +1 -0
  129. package/resources/predictions/adme.d.ts +539 -0
  130. package/resources/predictions/adme.d.ts.map +1 -0
  131. package/resources/predictions/adme.js +72 -0
  132. package/resources/predictions/adme.js.map +1 -0
  133. package/resources/predictions/adme.mjs +68 -0
  134. package/resources/predictions/adme.mjs.map +1 -0
  135. package/resources/predictions/index.d.mts +1 -0
  136. package/resources/predictions/index.d.mts.map +1 -1
  137. package/resources/predictions/index.d.ts +1 -0
  138. package/resources/predictions/index.d.ts.map +1 -1
  139. package/resources/predictions/index.js +3 -1
  140. package/resources/predictions/index.js.map +1 -1
  141. package/resources/predictions/index.mjs +1 -0
  142. package/resources/predictions/index.mjs.map +1 -1
  143. package/resources/predictions/predictions.d.mts +4 -0
  144. package/resources/predictions/predictions.d.mts.map +1 -1
  145. package/resources/predictions/predictions.d.ts +4 -0
  146. package/resources/predictions/predictions.d.ts.map +1 -1
  147. package/resources/predictions/predictions.js +4 -0
  148. package/resources/predictions/predictions.js.map +1 -1
  149. package/resources/predictions/predictions.mjs +4 -0
  150. package/resources/predictions/predictions.mjs.map +1 -1
  151. package/resources/predictions/structure-and-binding.d.mts +24 -156
  152. package/resources/predictions/structure-and-binding.d.mts.map +1 -1
  153. package/resources/predictions/structure-and-binding.d.ts +24 -156
  154. package/resources/predictions/structure-and-binding.d.ts.map +1 -1
  155. package/resources/predictions/structure-and-binding.mjs.map +1 -1
  156. package/resources/predictions.d.mts.map +1 -1
  157. package/resources/predictions.d.ts.map +1 -1
  158. package/resources/predictions.mjs.map +1 -1
  159. package/resources/protein/design.d.mts +161 -509
  160. package/resources/protein/design.d.mts.map +1 -1
  161. package/resources/protein/design.d.ts +161 -509
  162. package/resources/protein/design.d.ts.map +1 -1
  163. package/resources/protein/design.mjs.map +1 -1
  164. package/resources/protein/index.d.mts.map +1 -1
  165. package/resources/protein/index.d.ts.map +1 -1
  166. package/resources/protein/index.mjs.map +1 -1
  167. package/resources/protein/library-screen.d.mts +133 -327
  168. package/resources/protein/library-screen.d.mts.map +1 -1
  169. package/resources/protein/library-screen.d.ts +133 -327
  170. package/resources/protein/library-screen.d.ts.map +1 -1
  171. package/resources/protein/library-screen.mjs.map +1 -1
  172. package/resources/protein/protein.d.mts.map +1 -1
  173. package/resources/protein/protein.d.ts.map +1 -1
  174. package/resources/protein/protein.mjs.map +1 -1
  175. package/resources/protein.d.mts.map +1 -1
  176. package/resources/protein.d.ts.map +1 -1
  177. package/resources/protein.mjs.map +1 -1
  178. package/resources/small-molecule/design.d.mts +31 -65
  179. package/resources/small-molecule/design.d.mts.map +1 -1
  180. package/resources/small-molecule/design.d.ts +31 -65
  181. package/resources/small-molecule/design.d.ts.map +1 -1
  182. package/resources/small-molecule/design.mjs.map +1 -1
  183. package/resources/small-molecule/index.d.mts.map +1 -1
  184. package/resources/small-molecule/index.d.ts.map +1 -1
  185. package/resources/small-molecule/index.mjs.map +1 -1
  186. package/resources/small-molecule/library-screen.d.mts +31 -65
  187. package/resources/small-molecule/library-screen.d.mts.map +1 -1
  188. package/resources/small-molecule/library-screen.d.ts +31 -65
  189. package/resources/small-molecule/library-screen.d.ts.map +1 -1
  190. package/resources/small-molecule/library-screen.mjs.map +1 -1
  191. package/resources/small-molecule/small-molecule.d.mts.map +1 -1
  192. package/resources/small-molecule/small-molecule.d.ts.map +1 -1
  193. package/resources/small-molecule/small-molecule.mjs.map +1 -1
  194. package/resources/small-molecule.d.mts.map +1 -1
  195. package/resources/small-molecule.d.ts.map +1 -1
  196. package/resources/small-molecule.mjs.map +1 -1
  197. package/resources.d.mts.map +1 -1
  198. package/resources.d.ts.map +1 -1
  199. package/resources.mjs.map +1 -1
  200. package/src/resources/admin/admin.ts +6 -0
  201. package/src/resources/admin/index.ts +3 -0
  202. package/src/resources/admin/workspaces.ts +131 -1
  203. package/src/resources/predictions/adme.ts +682 -0
  204. package/src/resources/predictions/index.ts +11 -0
  205. package/src/resources/predictions/predictions.ts +26 -0
  206. package/src/resources/predictions/structure-and-binding.ts +24 -204
  207. package/src/resources/protein/design.ts +161 -671
  208. package/src/resources/protein/library-screen.ts +133 -417
  209. package/src/resources/small-molecule/design.ts +35 -80
  210. package/src/resources/small-molecule/library-screen.ts +35 -80
  211. package/src/version.ts +1 -1
  212. package/uploads.d.mts +1 -0
  213. package/uploads.d.mts.map +1 -1
  214. package/uploads.d.ts +1 -0
  215. package/uploads.d.ts.map +1 -1
  216. package/uploads.mjs +1 -0
  217. package/uploads.mjs.map +1 -1
  218. package/version.d.mts +1 -1
  219. package/version.d.ts +1 -1
  220. package/version.js +1 -1
  221. package/version.mjs +1 -1
@@ -543,14 +543,11 @@ export namespace DesignRetrieveResponse {
543
543
  /**
544
544
  * Optional polymer modifications. Defaults to [] when omitted.
545
545
  */
546
- modifications?: Array<
547
- | DesignedProteinEntityResponse.CcdModificationResponse
548
- | DesignedProteinEntityResponse.SmilesModificationResponse
549
- >;
546
+ modifications?: Array<DesignedProteinEntityResponse.Modification>;
550
547
  }
551
548
 
552
549
  export namespace DesignedProteinEntityResponse {
553
- export interface CcdModificationResponse {
550
+ export interface Modification {
554
551
  /**
555
552
  * 0-based index of the residue to modify
556
553
  */
@@ -564,20 +561,6 @@ export namespace DesignRetrieveResponse {
564
561
  */
565
562
  value: string;
566
563
  }
567
-
568
- export interface SmilesModificationResponse {
569
- /**
570
- * 0-based index of the residue to modify
571
- */
572
- residue_index: number;
573
-
574
- type: 'smiles';
575
-
576
- /**
577
- * SMILES string for the modification
578
- */
579
- value: string;
580
- }
581
564
  }
582
565
 
583
566
  /**
@@ -604,14 +587,11 @@ export namespace DesignRetrieveResponse {
604
587
  /**
605
588
  * Optional polymer modifications. Defaults to [] when omitted.
606
589
  */
607
- modifications?: Array<
608
- | FixedProteinEntityResponse.CcdModificationResponse
609
- | FixedProteinEntityResponse.SmilesModificationResponse
610
- >;
590
+ modifications?: Array<FixedProteinEntityResponse.Modification>;
611
591
  }
612
592
 
613
593
  export namespace FixedProteinEntityResponse {
614
- export interface CcdModificationResponse {
594
+ export interface Modification {
615
595
  /**
616
596
  * 0-based index of the residue to modify
617
597
  */
@@ -625,20 +605,6 @@ export namespace DesignRetrieveResponse {
625
605
  */
626
606
  value: string;
627
607
  }
628
-
629
- export interface SmilesModificationResponse {
630
- /**
631
- * 0-based index of the residue to modify
632
- */
633
- residue_index: number;
634
-
635
- type: 'smiles';
636
-
637
- /**
638
- * SMILES string for the modification
639
- */
640
- value: string;
641
- }
642
608
  }
643
609
 
644
610
  export interface FixedRnaEntityResponse {
@@ -662,13 +628,11 @@ export namespace DesignRetrieveResponse {
662
628
  /**
663
629
  * Optional polymer modifications. Defaults to [] when omitted.
664
630
  */
665
- modifications?: Array<
666
- FixedRnaEntityResponse.CcdModificationResponse | FixedRnaEntityResponse.SmilesModificationResponse
667
- >;
631
+ modifications?: Array<FixedRnaEntityResponse.Modification>;
668
632
  }
669
633
 
670
634
  export namespace FixedRnaEntityResponse {
671
- export interface CcdModificationResponse {
635
+ export interface Modification {
672
636
  /**
673
637
  * 0-based index of the residue to modify
674
638
  */
@@ -682,20 +646,6 @@ export namespace DesignRetrieveResponse {
682
646
  */
683
647
  value: string;
684
648
  }
685
-
686
- export interface SmilesModificationResponse {
687
- /**
688
- * 0-based index of the residue to modify
689
- */
690
- residue_index: number;
691
-
692
- type: 'smiles';
693
-
694
- /**
695
- * SMILES string for the modification
696
- */
697
- value: string;
698
- }
699
649
  }
700
650
 
701
651
  export interface FixedDnaEntityResponse {
@@ -719,13 +669,11 @@ export namespace DesignRetrieveResponse {
719
669
  /**
720
670
  * Optional polymer modifications. Defaults to [] when omitted.
721
671
  */
722
- modifications?: Array<
723
- FixedDnaEntityResponse.CcdModificationResponse | FixedDnaEntityResponse.SmilesModificationResponse
724
- >;
672
+ modifications?: Array<FixedDnaEntityResponse.Modification>;
725
673
  }
726
674
 
727
675
  export namespace FixedDnaEntityResponse {
728
- export interface CcdModificationResponse {
676
+ export interface Modification {
729
677
  /**
730
678
  * 0-based index of the residue to modify
731
679
  */
@@ -739,20 +687,6 @@ export namespace DesignRetrieveResponse {
739
687
  */
740
688
  value: string;
741
689
  }
742
-
743
- export interface SmilesModificationResponse {
744
- /**
745
- * 0-based index of the residue to modify
746
- */
747
- residue_index: number;
748
-
749
- type: 'smiles';
750
-
751
- /**
752
- * SMILES string for the modification
753
- */
754
- value: string;
755
- }
756
690
  }
757
691
 
758
692
  export interface FixedLigandSmilesEntityResponse {
@@ -962,7 +896,7 @@ export namespace DesignRetrieveResponse {
962
896
  * Chains selected from the uploaded structure, keyed by chain ID. Only chains
963
897
  * listed here are included in the engine run — any chains omitted from this
964
898
  * mapping are ignored. Each value defines which residues to keep, which are
965
- * epitope residues, and which are flexible.
899
+ * epitope residues, which are non-binding residues, and which are flexible.
966
900
  */
967
901
  chain_selection: {
968
902
  [key: string]:
@@ -991,7 +925,8 @@ export namespace DesignRetrieveResponse {
991
925
 
992
926
  /**
993
927
  * 0-indexed residue indices where binder contact is desired (the epitope). All
994
- * indices must be present in crop_residues.
928
+ * indices must be present in crop_residues and must not overlap
929
+ * non_binding_residues.
995
930
  */
996
931
  epitope_residues?: Array<number>;
997
932
 
@@ -1000,6 +935,12 @@ export namespace DesignRetrieveResponse {
1000
935
  * regions). All indices must be present in crop_residues.
1001
936
  */
1002
937
  flexible_residues?: Array<number>;
938
+
939
+ /**
940
+ * 0-indexed residue indices where binder contact should be discouraged. All
941
+ * 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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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.CcdModification | ProteinEntity.SmilesModification>;
1663
+ modifications?: Array<ProteinEntity.Modification>;
1764
1664
  }
1765
1665
 
1766
1666
  export namespace ProteinEntity {
1767
- export interface CcdModification {
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.CcdModification | RnaEntity.SmilesModification>;
1704
+ modifications?: Array<RnaEntity.Modification>;
1819
1705
  }
1820
1706
 
1821
1707
  export namespace RnaEntity {
1822
- export interface CcdModification {
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.CcdModification | DnaEntity.SmilesModification>;
1745
+ modifications?: Array<DnaEntity.Modification>;
1874
1746
  }
1875
1747
 
1876
1748
  export namespace DnaEntity {
1877
- export interface CcdModification {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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 CcdModificationResponse {
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.CcdModification | DesignedProteinEntity.SmilesModification>;
4626
+ modifications?: Array<DesignedProteinEntity.Modification>;
4969
4627
  }
4970
4628
 
4971
4629
  export namespace DesignedProteinEntity {
4972
- export interface CcdModification {
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.CcdModification | FixedProteinEntity.SmilesModification>;
4670
+ modifications?: Array<FixedProteinEntity.Modification>;
5027
4671
  }
5028
4672
 
5029
4673
  export namespace FixedProteinEntity {
5030
- export interface CcdModification {
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.CcdModification | FixedRnaEntity.SmilesModification>;
4711
+ modifications?: Array<FixedRnaEntity.Modification>;
5082
4712
  }
5083
4713
 
5084
4714
  export namespace FixedRnaEntity {
5085
- export interface CcdModification {
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.CcdModification | FixedDnaEntity.SmilesModification>;
4752
+ modifications?: Array<FixedDnaEntity.Modification>;
5137
4753
  }
5138
4754
 
5139
4755
  export namespace FixedDnaEntity {
5140
- export interface CcdModification {
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.CcdModification | ProteinEntity.SmilesModification>;
5132
+ modifications?: Array<ProteinEntity.Modification>;
5517
5133
  }
5518
5134
 
5519
5135
  export namespace ProteinEntity {
5520
- export interface CcdModification {
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.CcdModification | RnaEntity.SmilesModification>;
5173
+ modifications?: Array<RnaEntity.Modification>;
5572
5174
  }
5573
5175
 
5574
5176
  export namespace RnaEntity {
5575
- export interface CcdModification {
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.CcdModification | DnaEntity.SmilesModification>;
5214
+ modifications?: Array<DnaEntity.Modification>;
5627
5215
  }
5628
5216
 
5629
5217
  export namespace DnaEntity {
5630
- export interface CcdModification {
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.CcdModification | DesignedProteinEntity.SmilesModification>;
5786
+ modifications?: Array<DesignedProteinEntity.Modification>;
6213
5787
  }
6214
5788
 
6215
5789
  export namespace DesignedProteinEntity {
6216
- export interface CcdModification {
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.CcdModification | FixedProteinEntity.SmilesModification>;
5830
+ modifications?: Array<FixedProteinEntity.Modification>;
6271
5831
  }
6272
5832
 
6273
5833
  export namespace FixedProteinEntity {
6274
- export interface CcdModification {
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.CcdModification | FixedRnaEntity.SmilesModification>;
5871
+ modifications?: Array<FixedRnaEntity.Modification>;
6326
5872
  }
6327
5873
 
6328
5874
  export namespace FixedRnaEntity {
6329
- export interface CcdModification {
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.CcdModification | FixedDnaEntity.SmilesModification>;
5912
+ modifications?: Array<FixedDnaEntity.Modification>;
6381
5913
  }
6382
5914
 
6383
5915
  export namespace FixedDnaEntity {
6384
- export interface CcdModification {
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.CcdModification | ProteinEntity.SmilesModification>;
6292
+ modifications?: Array<ProteinEntity.Modification>;
6761
6293
  }
6762
6294
 
6763
6295
  export namespace ProteinEntity {
6764
- export interface CcdModification {
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.CcdModification | RnaEntity.SmilesModification>;
6333
+ modifications?: Array<RnaEntity.Modification>;
6816
6334
  }
6817
6335
 
6818
6336
  export namespace RnaEntity {
6819
- export interface CcdModification {
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.CcdModification | DnaEntity.SmilesModification>;
6374
+ modifications?: Array<DnaEntity.Modification>;
6871
6375
  }
6872
6376
 
6873
6377
  export namespace DnaEntity {
6874
- export interface CcdModification {
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 {