boltz-api 0.30.4 → 0.35.3

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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
@@ -423,10 +423,10 @@ export declare namespace DesignRetrieveResponse {
423
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  /**
424
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  * Optional polymer modifications. Defaults to [] when omitted.
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  */
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- modifications?: Array<DesignedProteinEntityResponse.CcdModificationResponse | DesignedProteinEntityResponse.SmilesModificationResponse>;
426
+ modifications?: Array<DesignedProteinEntityResponse.Modification>;
427
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  }
428
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  namespace DesignedProteinEntityResponse {
429
- interface CcdModificationResponse {
429
+ interface Modification {
430
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  /**
431
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  * 0-based index of the residue to modify
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  */
@@ -438,17 +438,6 @@ export declare namespace DesignRetrieveResponse {
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  */
439
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  value: string;
440
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  }
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- interface SmilesModificationResponse {
442
- /**
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- * 0-based index of the residue to modify
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- */
445
- residue_index: number;
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- type: 'smiles';
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- /**
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- * SMILES string for the modification
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- */
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- value: string;
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- }
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  }
453
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  /**
454
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  * A fixed protein entity whose sequence is not redesigned.
@@ -470,10 +459,10 @@ export declare namespace DesignRetrieveResponse {
470
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  /**
471
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  * Optional polymer modifications. Defaults to [] when omitted.
472
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  */
473
- modifications?: Array<FixedProteinEntityResponse.CcdModificationResponse | FixedProteinEntityResponse.SmilesModificationResponse>;
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+ modifications?: Array<FixedProteinEntityResponse.Modification>;
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  }
475
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  namespace FixedProteinEntityResponse {
476
- interface CcdModificationResponse {
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+ interface Modification {
477
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  /**
478
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  * 0-based index of the residue to modify
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  */
@@ -485,17 +474,6 @@ export declare namespace DesignRetrieveResponse {
485
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  */
486
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  value: string;
487
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  }
488
- interface SmilesModificationResponse {
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- /**
490
- * 0-based index of the residue to modify
491
- */
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- residue_index: number;
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- type: 'smiles';
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- /**
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- * SMILES string for the modification
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- */
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- value: string;
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- }
499
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  }
500
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  interface FixedRnaEntityResponse {
501
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  /**
@@ -514,10 +492,10 @@ export declare namespace DesignRetrieveResponse {
514
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  /**
515
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  * Optional polymer modifications. Defaults to [] when omitted.
516
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  */
517
- modifications?: Array<FixedRnaEntityResponse.CcdModificationResponse | FixedRnaEntityResponse.SmilesModificationResponse>;
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+ modifications?: Array<FixedRnaEntityResponse.Modification>;
518
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  }
519
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  namespace FixedRnaEntityResponse {
520
- interface CcdModificationResponse {
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+ interface Modification {
521
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  /**
522
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  * 0-based index of the residue to modify
523
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  */
@@ -529,17 +507,6 @@ export declare namespace DesignRetrieveResponse {
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  */
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  value: string;
531
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  }
532
- interface SmilesModificationResponse {
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- /**
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- * 0-based index of the residue to modify
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- */
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- residue_index: number;
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- type: 'smiles';
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- /**
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- * SMILES string for the modification
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- */
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- value: string;
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- }
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  }
544
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  interface FixedDnaEntityResponse {
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  /**
@@ -558,10 +525,10 @@ export declare namespace DesignRetrieveResponse {
558
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  /**
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  * Optional polymer modifications. Defaults to [] when omitted.
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  */
561
- modifications?: Array<FixedDnaEntityResponse.CcdModificationResponse | FixedDnaEntityResponse.SmilesModificationResponse>;
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+ modifications?: Array<FixedDnaEntityResponse.Modification>;
562
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  }
563
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  namespace FixedDnaEntityResponse {
564
- interface CcdModificationResponse {
531
+ interface Modification {
565
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  /**
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  * 0-based index of the residue to modify
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  */
@@ -573,17 +540,6 @@ export declare namespace DesignRetrieveResponse {
573
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  */
574
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  value: string;
575
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  }
576
- interface SmilesModificationResponse {
577
- /**
578
- * 0-based index of the residue to modify
579
- */
580
- residue_index: number;
581
- type: 'smiles';
582
- /**
583
- * SMILES string for the modification
584
- */
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- value: string;
586
- }
587
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  }
588
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  interface FixedLigandSmilesEntityResponse {
589
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  /**
@@ -761,7 +717,7 @@ export declare namespace DesignRetrieveResponse {
761
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  * Chains selected from the uploaded structure, keyed by chain ID. Only chains
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  * listed here are included in the engine run — any chains omitted from this
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  * mapping are ignored. Each value defines which residues to keep, which are
764
- * epitope residues, and which are flexible.
720
+ * epitope residues, which are non-binding residues, and which are flexible.
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  */
766
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  chain_selection: {
767
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  [key: string]: StructureTemplateTargetResponse.StructureTemplateTargetPolymerChainSpec | StructureTemplateTargetResponse.StructureTemplateTargetLigandChainSpec;
@@ -783,7 +739,8 @@ export declare namespace DesignRetrieveResponse {
783
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  crop_residues: Array<number> | 'all';
784
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  /**
785
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  * 0-indexed residue indices where binder contact is desired (the epitope). All
786
- * indices must be present in crop_residues.
742
+ * indices must be present in crop_residues and must not overlap
743
+ * non_binding_residues.
787
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  */
788
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  epitope_residues?: Array<number>;
789
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  /**
@@ -791,6 +748,11 @@ export declare namespace DesignRetrieveResponse {
791
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  * regions). All indices must be present in crop_residues.
792
749
  */
793
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  flexible_residues?: Array<number>;
751
+ /**
752
+ * 0-indexed residue indices where binder contact should be discouraged. All
753
+ * indices must be present in crop_residues and must not overlap epitope_residues.
754
+ */
755
+ non_binding_residues?: Array<number>;
794
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  }
795
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  /**
796
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  * Per-chain specification for a ligand chain in a structure template target. The
@@ -837,11 +799,19 @@ export declare namespace DesignRetrieveResponse {
837
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  /**
838
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  * Polymer chain residues where binder contact is desired (the epitope). Each key
839
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  * is a chain ID of a polymer entity, each value is an array of 0-indexed residue
840
- * indices.
802
+ * indices. Residues must not overlap non_binding_residues on the same chain.
841
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  */
842
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  epitope_residues?: {
843
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  [key: string]: Array<number>;
844
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  };
807
+ /**
808
+ * Polymer chain residues where binder contact should be discouraged. Each key is a
809
+ * chain ID of a polymer entity, each value is an array of 0-indexed residue
810
+ * indices. Residues must not overlap epitope_residues on the same chain.
811
+ */
812
+ non_binding_residues?: {
813
+ [key: string]: Array<number>;
814
+ };
845
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  }
846
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  namespace NoTemplateTargetResponse {
847
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  interface ProteinEntityResponse {
@@ -862,10 +832,10 @@ export declare namespace DesignRetrieveResponse {
862
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  * Post-translational modifications. Optional; defaults to an empty list when
863
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  * omitted.
864
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  */
865
- modifications?: Array<ProteinEntityResponse.CcdModificationResponse | ProteinEntityResponse.SmilesModificationResponse>;
835
+ modifications?: Array<ProteinEntityResponse.Modification>;
866
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  }
867
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  namespace ProteinEntityResponse {
868
- interface CcdModificationResponse {
838
+ interface Modification {
869
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  /**
870
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  * 0-based index of the residue to modify
871
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  */
@@ -877,17 +847,6 @@ export declare namespace DesignRetrieveResponse {
877
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  */
878
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  value: string;
879
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  }
880
- interface SmilesModificationResponse {
881
- /**
882
- * 0-based index of the residue to modify
883
- */
884
- residue_index: number;
885
- type: 'smiles';
886
- /**
887
- * SMILES string for the modification
888
- */
889
- value: string;
890
- }
891
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  }
892
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  interface RnaEntityResponse {
893
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  /**
@@ -906,10 +865,10 @@ export declare namespace DesignRetrieveResponse {
906
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  /**
907
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  * Chemical modifications. Optional; defaults to an empty list when omitted.
908
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  */
909
- modifications?: Array<RnaEntityResponse.CcdModificationResponse | RnaEntityResponse.SmilesModificationResponse>;
868
+ modifications?: Array<RnaEntityResponse.Modification>;
910
869
  }
911
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  namespace RnaEntityResponse {
912
- interface CcdModificationResponse {
871
+ interface Modification {
913
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  /**
914
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  * 0-based index of the residue to modify
915
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  */
@@ -921,17 +880,6 @@ export declare namespace DesignRetrieveResponse {
921
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  */
922
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  value: string;
923
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  }
924
- interface SmilesModificationResponse {
925
- /**
926
- * 0-based index of the residue to modify
927
- */
928
- residue_index: number;
929
- type: 'smiles';
930
- /**
931
- * SMILES string for the modification
932
- */
933
- value: string;
934
- }
935
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  }
936
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  interface DnaEntityResponse {
937
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  /**
@@ -950,10 +898,10 @@ export declare namespace DesignRetrieveResponse {
950
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  /**
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  * Chemical modifications. Optional; defaults to an empty list when omitted.
952
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  */
953
- modifications?: Array<DnaEntityResponse.CcdModificationResponse | DnaEntityResponse.SmilesModificationResponse>;
901
+ modifications?: Array<DnaEntityResponse.Modification>;
954
902
  }
955
903
  namespace DnaEntityResponse {
956
- interface CcdModificationResponse {
904
+ interface Modification {
957
905
  /**
958
906
  * 0-based index of the residue to modify
959
907
  */
@@ -965,17 +913,6 @@ export declare namespace DesignRetrieveResponse {
965
913
  */
966
914
  value: string;
967
915
  }
968
- interface SmilesModificationResponse {
969
- /**
970
- * 0-based index of the residue to modify
971
- */
972
- residue_index: number;
973
- type: 'smiles';
974
- /**
975
- * SMILES string for the modification
976
- */
977
- value: string;
978
- }
979
916
  }
980
917
  interface LigandCcdEntityResponse {
981
918
  /**
@@ -1390,10 +1327,10 @@ export declare namespace DesignListResultsResponse {
1390
1327
  * Post-translational modifications. Optional; defaults to an empty list when
1391
1328
  * omitted.
1392
1329
  */
1393
- modifications?: Array<ProteinEntity.CcdModification | ProteinEntity.SmilesModification>;
1330
+ modifications?: Array<ProteinEntity.Modification>;
1394
1331
  }
1395
1332
  namespace ProteinEntity {
1396
- interface CcdModification {
1333
+ interface Modification {
1397
1334
  /**
1398
1335
  * 0-based index of the residue to modify
1399
1336
  */
@@ -1405,17 +1342,6 @@ export declare namespace DesignListResultsResponse {
1405
1342
  */
1406
1343
  value: string;
1407
1344
  }
1408
- interface SmilesModification {
1409
- /**
1410
- * 0-based index of the residue to modify
1411
- */
1412
- residue_index: number;
1413
- type: 'smiles';
1414
- /**
1415
- * SMILES string for the modification
1416
- */
1417
- value: string;
1418
- }
1419
1345
  }
1420
1346
  interface RnaEntity {
1421
1347
  /**
@@ -1434,10 +1360,10 @@ export declare namespace DesignListResultsResponse {
1434
1360
  /**
1435
1361
  * Chemical modifications. Optional; defaults to an empty list when omitted.
1436
1362
  */
1437
- modifications?: Array<RnaEntity.CcdModification | RnaEntity.SmilesModification>;
1363
+ modifications?: Array<RnaEntity.Modification>;
1438
1364
  }
1439
1365
  namespace RnaEntity {
1440
- interface CcdModification {
1366
+ interface Modification {
1441
1367
  /**
1442
1368
  * 0-based index of the residue to modify
1443
1369
  */
@@ -1449,17 +1375,6 @@ export declare namespace DesignListResultsResponse {
1449
1375
  */
1450
1376
  value: string;
1451
1377
  }
1452
- interface SmilesModification {
1453
- /**
1454
- * 0-based index of the residue to modify
1455
- */
1456
- residue_index: number;
1457
- type: 'smiles';
1458
- /**
1459
- * SMILES string for the modification
1460
- */
1461
- value: string;
1462
- }
1463
1378
  }
1464
1379
  interface DnaEntity {
1465
1380
  /**
@@ -1478,10 +1393,10 @@ export declare namespace DesignListResultsResponse {
1478
1393
  /**
1479
1394
  * Chemical modifications. Optional; defaults to an empty list when omitted.
1480
1395
  */
1481
- modifications?: Array<DnaEntity.CcdModification | DnaEntity.SmilesModification>;
1396
+ modifications?: Array<DnaEntity.Modification>;
1482
1397
  }
1483
1398
  namespace DnaEntity {
1484
- interface CcdModification {
1399
+ interface Modification {
1485
1400
  /**
1486
1401
  * 0-based index of the residue to modify
1487
1402
  */
@@ -1493,17 +1408,6 @@ export declare namespace DesignListResultsResponse {
1493
1408
  */
1494
1409
  value: string;
1495
1410
  }
1496
- interface SmilesModification {
1497
- /**
1498
- * 0-based index of the residue to modify
1499
- */
1500
- residue_index: number;
1501
- type: 'smiles';
1502
- /**
1503
- * SMILES string for the modification
1504
- */
1505
- value: string;
1506
- }
1507
1411
  }
1508
1412
  interface LigandCcdEntity {
1509
1413
  /**
@@ -1864,10 +1768,10 @@ export declare namespace DesignStartResponse {
1864
1768
  /**
1865
1769
  * Optional polymer modifications. Defaults to [] when omitted.
1866
1770
  */
1867
- modifications?: Array<DesignedProteinEntityResponse.CcdModificationResponse | DesignedProteinEntityResponse.SmilesModificationResponse>;
1771
+ modifications?: Array<DesignedProteinEntityResponse.Modification>;
1868
1772
  }
1869
1773
  namespace DesignedProteinEntityResponse {
1870
- interface CcdModificationResponse {
1774
+ interface Modification {
1871
1775
  /**
1872
1776
  * 0-based index of the residue to modify
1873
1777
  */
@@ -1879,17 +1783,6 @@ export declare namespace DesignStartResponse {
1879
1783
  */
1880
1784
  value: string;
1881
1785
  }
1882
- interface SmilesModificationResponse {
1883
- /**
1884
- * 0-based index of the residue to modify
1885
- */
1886
- residue_index: number;
1887
- type: 'smiles';
1888
- /**
1889
- * SMILES string for the modification
1890
- */
1891
- value: string;
1892
- }
1893
1786
  }
1894
1787
  /**
1895
1788
  * A fixed protein entity whose sequence is not redesigned.
@@ -1911,10 +1804,10 @@ export declare namespace DesignStartResponse {
1911
1804
  /**
1912
1805
  * Optional polymer modifications. Defaults to [] when omitted.
1913
1806
  */
1914
- modifications?: Array<FixedProteinEntityResponse.CcdModificationResponse | FixedProteinEntityResponse.SmilesModificationResponse>;
1807
+ modifications?: Array<FixedProteinEntityResponse.Modification>;
1915
1808
  }
1916
1809
  namespace FixedProteinEntityResponse {
1917
- interface CcdModificationResponse {
1810
+ interface Modification {
1918
1811
  /**
1919
1812
  * 0-based index of the residue to modify
1920
1813
  */
@@ -1926,17 +1819,6 @@ export declare namespace DesignStartResponse {
1926
1819
  */
1927
1820
  value: string;
1928
1821
  }
1929
- interface SmilesModificationResponse {
1930
- /**
1931
- * 0-based index of the residue to modify
1932
- */
1933
- residue_index: number;
1934
- type: 'smiles';
1935
- /**
1936
- * SMILES string for the modification
1937
- */
1938
- value: string;
1939
- }
1940
1822
  }
1941
1823
  interface FixedRnaEntityResponse {
1942
1824
  /**
@@ -1955,10 +1837,10 @@ export declare namespace DesignStartResponse {
1955
1837
  /**
1956
1838
  * Optional polymer modifications. Defaults to [] when omitted.
1957
1839
  */
1958
- modifications?: Array<FixedRnaEntityResponse.CcdModificationResponse | FixedRnaEntityResponse.SmilesModificationResponse>;
1840
+ modifications?: Array<FixedRnaEntityResponse.Modification>;
1959
1841
  }
1960
1842
  namespace FixedRnaEntityResponse {
1961
- interface CcdModificationResponse {
1843
+ interface Modification {
1962
1844
  /**
1963
1845
  * 0-based index of the residue to modify
1964
1846
  */
@@ -1970,17 +1852,6 @@ export declare namespace DesignStartResponse {
1970
1852
  */
1971
1853
  value: string;
1972
1854
  }
1973
- interface SmilesModificationResponse {
1974
- /**
1975
- * 0-based index of the residue to modify
1976
- */
1977
- residue_index: number;
1978
- type: 'smiles';
1979
- /**
1980
- * SMILES string for the modification
1981
- */
1982
- value: string;
1983
- }
1984
1855
  }
1985
1856
  interface FixedDnaEntityResponse {
1986
1857
  /**
@@ -1999,10 +1870,10 @@ export declare namespace DesignStartResponse {
1999
1870
  /**
2000
1871
  * Optional polymer modifications. Defaults to [] when omitted.
2001
1872
  */
2002
- modifications?: Array<FixedDnaEntityResponse.CcdModificationResponse | FixedDnaEntityResponse.SmilesModificationResponse>;
1873
+ modifications?: Array<FixedDnaEntityResponse.Modification>;
2003
1874
  }
2004
1875
  namespace FixedDnaEntityResponse {
2005
- interface CcdModificationResponse {
1876
+ interface Modification {
2006
1877
  /**
2007
1878
  * 0-based index of the residue to modify
2008
1879
  */
@@ -2014,17 +1885,6 @@ export declare namespace DesignStartResponse {
2014
1885
  */
2015
1886
  value: string;
2016
1887
  }
2017
- interface SmilesModificationResponse {
2018
- /**
2019
- * 0-based index of the residue to modify
2020
- */
2021
- residue_index: number;
2022
- type: 'smiles';
2023
- /**
2024
- * SMILES string for the modification
2025
- */
2026
- value: string;
2027
- }
2028
1888
  }
2029
1889
  interface FixedLigandSmilesEntityResponse {
2030
1890
  /**
@@ -2202,7 +2062,7 @@ export declare namespace DesignStartResponse {
2202
2062
  * Chains selected from the uploaded structure, keyed by chain ID. Only chains
2203
2063
  * listed here are included in the engine run — any chains omitted from this
2204
2064
  * mapping are ignored. Each value defines which residues to keep, which are
2205
- * epitope residues, and which are flexible.
2065
+ * epitope residues, which are non-binding residues, and which are flexible.
2206
2066
  */
2207
2067
  chain_selection: {
2208
2068
  [key: string]: StructureTemplateTargetResponse.StructureTemplateTargetPolymerChainSpec | StructureTemplateTargetResponse.StructureTemplateTargetLigandChainSpec;
@@ -2224,7 +2084,8 @@ export declare namespace DesignStartResponse {
2224
2084
  crop_residues: Array<number> | 'all';
2225
2085
  /**
2226
2086
  * 0-indexed residue indices where binder contact is desired (the epitope). All
2227
- * indices must be present in crop_residues.
2087
+ * indices must be present in crop_residues and must not overlap
2088
+ * non_binding_residues.
2228
2089
  */
2229
2090
  epitope_residues?: Array<number>;
2230
2091
  /**
@@ -2232,6 +2093,11 @@ export declare namespace DesignStartResponse {
2232
2093
  * regions). All indices must be present in crop_residues.
2233
2094
  */
2234
2095
  flexible_residues?: Array<number>;
2096
+ /**
2097
+ * 0-indexed residue indices where binder contact should be discouraged. All
2098
+ * indices must be present in crop_residues and must not overlap epitope_residues.
2099
+ */
2100
+ non_binding_residues?: Array<number>;
2235
2101
  }
2236
2102
  /**
2237
2103
  * Per-chain specification for a ligand chain in a structure template target. The
@@ -2278,11 +2144,19 @@ export declare namespace DesignStartResponse {
2278
2144
  /**
2279
2145
  * Polymer chain residues where binder contact is desired (the epitope). Each key
2280
2146
  * is a chain ID of a polymer entity, each value is an array of 0-indexed residue
2281
- * indices.
2147
+ * indices. Residues must not overlap non_binding_residues on the same chain.
2282
2148
  */
2283
2149
  epitope_residues?: {
2284
2150
  [key: string]: Array<number>;
2285
2151
  };
2152
+ /**
2153
+ * Polymer chain residues where binder contact should be discouraged. Each key is a
2154
+ * chain ID of a polymer entity, each value is an array of 0-indexed residue
2155
+ * indices. Residues must not overlap epitope_residues on the same chain.
2156
+ */
2157
+ non_binding_residues?: {
2158
+ [key: string]: Array<number>;
2159
+ };
2286
2160
  }
2287
2161
  namespace NoTemplateTargetResponse {
2288
2162
  interface ProteinEntityResponse {
@@ -2303,10 +2177,10 @@ export declare namespace DesignStartResponse {
2303
2177
  * Post-translational modifications. Optional; defaults to an empty list when
2304
2178
  * omitted.
2305
2179
  */
2306
- modifications?: Array<ProteinEntityResponse.CcdModificationResponse | ProteinEntityResponse.SmilesModificationResponse>;
2180
+ modifications?: Array<ProteinEntityResponse.Modification>;
2307
2181
  }
2308
2182
  namespace ProteinEntityResponse {
2309
- interface CcdModificationResponse {
2183
+ interface Modification {
2310
2184
  /**
2311
2185
  * 0-based index of the residue to modify
2312
2186
  */
@@ -2318,17 +2192,6 @@ export declare namespace DesignStartResponse {
2318
2192
  */
2319
2193
  value: string;
2320
2194
  }
2321
- interface SmilesModificationResponse {
2322
- /**
2323
- * 0-based index of the residue to modify
2324
- */
2325
- residue_index: number;
2326
- type: 'smiles';
2327
- /**
2328
- * SMILES string for the modification
2329
- */
2330
- value: string;
2331
- }
2332
2195
  }
2333
2196
  interface RnaEntityResponse {
2334
2197
  /**
@@ -2347,10 +2210,10 @@ export declare namespace DesignStartResponse {
2347
2210
  /**
2348
2211
  * Chemical modifications. Optional; defaults to an empty list when omitted.
2349
2212
  */
2350
- modifications?: Array<RnaEntityResponse.CcdModificationResponse | RnaEntityResponse.SmilesModificationResponse>;
2213
+ modifications?: Array<RnaEntityResponse.Modification>;
2351
2214
  }
2352
2215
  namespace RnaEntityResponse {
2353
- interface CcdModificationResponse {
2216
+ interface Modification {
2354
2217
  /**
2355
2218
  * 0-based index of the residue to modify
2356
2219
  */
@@ -2362,17 +2225,6 @@ export declare namespace DesignStartResponse {
2362
2225
  */
2363
2226
  value: string;
2364
2227
  }
2365
- interface SmilesModificationResponse {
2366
- /**
2367
- * 0-based index of the residue to modify
2368
- */
2369
- residue_index: number;
2370
- type: 'smiles';
2371
- /**
2372
- * SMILES string for the modification
2373
- */
2374
- value: string;
2375
- }
2376
2228
  }
2377
2229
  interface DnaEntityResponse {
2378
2230
  /**
@@ -2391,10 +2243,10 @@ export declare namespace DesignStartResponse {
2391
2243
  /**
2392
2244
  * Chemical modifications. Optional; defaults to an empty list when omitted.
2393
2245
  */
2394
- modifications?: Array<DnaEntityResponse.CcdModificationResponse | DnaEntityResponse.SmilesModificationResponse>;
2246
+ modifications?: Array<DnaEntityResponse.Modification>;
2395
2247
  }
2396
2248
  namespace DnaEntityResponse {
2397
- interface CcdModificationResponse {
2249
+ interface Modification {
2398
2250
  /**
2399
2251
  * 0-based index of the residue to modify
2400
2252
  */
@@ -2406,17 +2258,6 @@ export declare namespace DesignStartResponse {
2406
2258
  */
2407
2259
  value: string;
2408
2260
  }
2409
- interface SmilesModificationResponse {
2410
- /**
2411
- * 0-based index of the residue to modify
2412
- */
2413
- residue_index: number;
2414
- type: 'smiles';
2415
- /**
2416
- * SMILES string for the modification
2417
- */
2418
- value: string;
2419
- }
2420
2261
  }
2421
2262
  interface LigandCcdEntityResponse {
2422
2263
  /**
@@ -2933,10 +2774,10 @@ export declare namespace DesignStopResponse {
2933
2774
  /**
2934
2775
  * Optional polymer modifications. Defaults to [] when omitted.
2935
2776
  */
2936
- modifications?: Array<DesignedProteinEntityResponse.CcdModificationResponse | DesignedProteinEntityResponse.SmilesModificationResponse>;
2777
+ modifications?: Array<DesignedProteinEntityResponse.Modification>;
2937
2778
  }
2938
2779
  namespace DesignedProteinEntityResponse {
2939
- interface CcdModificationResponse {
2780
+ interface Modification {
2940
2781
  /**
2941
2782
  * 0-based index of the residue to modify
2942
2783
  */
@@ -2948,17 +2789,6 @@ export declare namespace DesignStopResponse {
2948
2789
  */
2949
2790
  value: string;
2950
2791
  }
2951
- interface SmilesModificationResponse {
2952
- /**
2953
- * 0-based index of the residue to modify
2954
- */
2955
- residue_index: number;
2956
- type: 'smiles';
2957
- /**
2958
- * SMILES string for the modification
2959
- */
2960
- value: string;
2961
- }
2962
2792
  }
2963
2793
  /**
2964
2794
  * A fixed protein entity whose sequence is not redesigned.
@@ -2980,10 +2810,10 @@ export declare namespace DesignStopResponse {
2980
2810
  /**
2981
2811
  * Optional polymer modifications. Defaults to [] when omitted.
2982
2812
  */
2983
- modifications?: Array<FixedProteinEntityResponse.CcdModificationResponse | FixedProteinEntityResponse.SmilesModificationResponse>;
2813
+ modifications?: Array<FixedProteinEntityResponse.Modification>;
2984
2814
  }
2985
2815
  namespace FixedProteinEntityResponse {
2986
- interface CcdModificationResponse {
2816
+ interface Modification {
2987
2817
  /**
2988
2818
  * 0-based index of the residue to modify
2989
2819
  */
@@ -2995,17 +2825,6 @@ export declare namespace DesignStopResponse {
2995
2825
  */
2996
2826
  value: string;
2997
2827
  }
2998
- interface SmilesModificationResponse {
2999
- /**
3000
- * 0-based index of the residue to modify
3001
- */
3002
- residue_index: number;
3003
- type: 'smiles';
3004
- /**
3005
- * SMILES string for the modification
3006
- */
3007
- value: string;
3008
- }
3009
2828
  }
3010
2829
  interface FixedRnaEntityResponse {
3011
2830
  /**
@@ -3024,10 +2843,10 @@ export declare namespace DesignStopResponse {
3024
2843
  /**
3025
2844
  * Optional polymer modifications. Defaults to [] when omitted.
3026
2845
  */
3027
- modifications?: Array<FixedRnaEntityResponse.CcdModificationResponse | FixedRnaEntityResponse.SmilesModificationResponse>;
2846
+ modifications?: Array<FixedRnaEntityResponse.Modification>;
3028
2847
  }
3029
2848
  namespace FixedRnaEntityResponse {
3030
- interface CcdModificationResponse {
2849
+ interface Modification {
3031
2850
  /**
3032
2851
  * 0-based index of the residue to modify
3033
2852
  */
@@ -3039,17 +2858,6 @@ export declare namespace DesignStopResponse {
3039
2858
  */
3040
2859
  value: string;
3041
2860
  }
3042
- interface SmilesModificationResponse {
3043
- /**
3044
- * 0-based index of the residue to modify
3045
- */
3046
- residue_index: number;
3047
- type: 'smiles';
3048
- /**
3049
- * SMILES string for the modification
3050
- */
3051
- value: string;
3052
- }
3053
2861
  }
3054
2862
  interface FixedDnaEntityResponse {
3055
2863
  /**
@@ -3068,10 +2876,10 @@ export declare namespace DesignStopResponse {
3068
2876
  /**
3069
2877
  * Optional polymer modifications. Defaults to [] when omitted.
3070
2878
  */
3071
- modifications?: Array<FixedDnaEntityResponse.CcdModificationResponse | FixedDnaEntityResponse.SmilesModificationResponse>;
2879
+ modifications?: Array<FixedDnaEntityResponse.Modification>;
3072
2880
  }
3073
2881
  namespace FixedDnaEntityResponse {
3074
- interface CcdModificationResponse {
2882
+ interface Modification {
3075
2883
  /**
3076
2884
  * 0-based index of the residue to modify
3077
2885
  */
@@ -3083,17 +2891,6 @@ export declare namespace DesignStopResponse {
3083
2891
  */
3084
2892
  value: string;
3085
2893
  }
3086
- interface SmilesModificationResponse {
3087
- /**
3088
- * 0-based index of the residue to modify
3089
- */
3090
- residue_index: number;
3091
- type: 'smiles';
3092
- /**
3093
- * SMILES string for the modification
3094
- */
3095
- value: string;
3096
- }
3097
2894
  }
3098
2895
  interface FixedLigandSmilesEntityResponse {
3099
2896
  /**
@@ -3271,7 +3068,7 @@ export declare namespace DesignStopResponse {
3271
3068
  * Chains selected from the uploaded structure, keyed by chain ID. Only chains
3272
3069
  * listed here are included in the engine run — any chains omitted from this
3273
3070
  * mapping are ignored. Each value defines which residues to keep, which are
3274
- * epitope residues, and which are flexible.
3071
+ * epitope residues, which are non-binding residues, and which are flexible.
3275
3072
  */
3276
3073
  chain_selection: {
3277
3074
  [key: string]: StructureTemplateTargetResponse.StructureTemplateTargetPolymerChainSpec | StructureTemplateTargetResponse.StructureTemplateTargetLigandChainSpec;
@@ -3293,7 +3090,8 @@ export declare namespace DesignStopResponse {
3293
3090
  crop_residues: Array<number> | 'all';
3294
3091
  /**
3295
3092
  * 0-indexed residue indices where binder contact is desired (the epitope). All
3296
- * indices must be present in crop_residues.
3093
+ * indices must be present in crop_residues and must not overlap
3094
+ * non_binding_residues.
3297
3095
  */
3298
3096
  epitope_residues?: Array<number>;
3299
3097
  /**
@@ -3301,6 +3099,11 @@ export declare namespace DesignStopResponse {
3301
3099
  * regions). All indices must be present in crop_residues.
3302
3100
  */
3303
3101
  flexible_residues?: Array<number>;
3102
+ /**
3103
+ * 0-indexed residue indices where binder contact should be discouraged. All
3104
+ * indices must be present in crop_residues and must not overlap epitope_residues.
3105
+ */
3106
+ non_binding_residues?: Array<number>;
3304
3107
  }
3305
3108
  /**
3306
3109
  * Per-chain specification for a ligand chain in a structure template target. The
@@ -3347,11 +3150,19 @@ export declare namespace DesignStopResponse {
3347
3150
  /**
3348
3151
  * Polymer chain residues where binder contact is desired (the epitope). Each key
3349
3152
  * is a chain ID of a polymer entity, each value is an array of 0-indexed residue
3350
- * indices.
3153
+ * indices. Residues must not overlap non_binding_residues on the same chain.
3351
3154
  */
3352
3155
  epitope_residues?: {
3353
3156
  [key: string]: Array<number>;
3354
3157
  };
3158
+ /**
3159
+ * Polymer chain residues where binder contact should be discouraged. Each key is a
3160
+ * chain ID of a polymer entity, each value is an array of 0-indexed residue
3161
+ * indices. Residues must not overlap epitope_residues on the same chain.
3162
+ */
3163
+ non_binding_residues?: {
3164
+ [key: string]: Array<number>;
3165
+ };
3355
3166
  }
3356
3167
  namespace NoTemplateTargetResponse {
3357
3168
  interface ProteinEntityResponse {
@@ -3372,10 +3183,10 @@ export declare namespace DesignStopResponse {
3372
3183
  * Post-translational modifications. Optional; defaults to an empty list when
3373
3184
  * omitted.
3374
3185
  */
3375
- modifications?: Array<ProteinEntityResponse.CcdModificationResponse | ProteinEntityResponse.SmilesModificationResponse>;
3186
+ modifications?: Array<ProteinEntityResponse.Modification>;
3376
3187
  }
3377
3188
  namespace ProteinEntityResponse {
3378
- interface CcdModificationResponse {
3189
+ interface Modification {
3379
3190
  /**
3380
3191
  * 0-based index of the residue to modify
3381
3192
  */
@@ -3387,17 +3198,6 @@ export declare namespace DesignStopResponse {
3387
3198
  */
3388
3199
  value: string;
3389
3200
  }
3390
- interface SmilesModificationResponse {
3391
- /**
3392
- * 0-based index of the residue to modify
3393
- */
3394
- residue_index: number;
3395
- type: 'smiles';
3396
- /**
3397
- * SMILES string for the modification
3398
- */
3399
- value: string;
3400
- }
3401
3201
  }
3402
3202
  interface RnaEntityResponse {
3403
3203
  /**
@@ -3416,10 +3216,10 @@ export declare namespace DesignStopResponse {
3416
3216
  /**
3417
3217
  * Chemical modifications. Optional; defaults to an empty list when omitted.
3418
3218
  */
3419
- modifications?: Array<RnaEntityResponse.CcdModificationResponse | RnaEntityResponse.SmilesModificationResponse>;
3219
+ modifications?: Array<RnaEntityResponse.Modification>;
3420
3220
  }
3421
3221
  namespace RnaEntityResponse {
3422
- interface CcdModificationResponse {
3222
+ interface Modification {
3423
3223
  /**
3424
3224
  * 0-based index of the residue to modify
3425
3225
  */
@@ -3431,17 +3231,6 @@ export declare namespace DesignStopResponse {
3431
3231
  */
3432
3232
  value: string;
3433
3233
  }
3434
- interface SmilesModificationResponse {
3435
- /**
3436
- * 0-based index of the residue to modify
3437
- */
3438
- residue_index: number;
3439
- type: 'smiles';
3440
- /**
3441
- * SMILES string for the modification
3442
- */
3443
- value: string;
3444
- }
3445
3234
  }
3446
3235
  interface DnaEntityResponse {
3447
3236
  /**
@@ -3460,10 +3249,10 @@ export declare namespace DesignStopResponse {
3460
3249
  /**
3461
3250
  * Chemical modifications. Optional; defaults to an empty list when omitted.
3462
3251
  */
3463
- modifications?: Array<DnaEntityResponse.CcdModificationResponse | DnaEntityResponse.SmilesModificationResponse>;
3252
+ modifications?: Array<DnaEntityResponse.Modification>;
3464
3253
  }
3465
3254
  namespace DnaEntityResponse {
3466
- interface CcdModificationResponse {
3255
+ interface Modification {
3467
3256
  /**
3468
3257
  * 0-based index of the residue to modify
3469
3258
  */
@@ -3475,17 +3264,6 @@ export declare namespace DesignStopResponse {
3475
3264
  */
3476
3265
  value: string;
3477
3266
  }
3478
- interface SmilesModificationResponse {
3479
- /**
3480
- * 0-based index of the residue to modify
3481
- */
3482
- residue_index: number;
3483
- type: 'smiles';
3484
- /**
3485
- * SMILES string for the modification
3486
- */
3487
- value: string;
3488
- }
3489
3267
  }
3490
3268
  interface LigandCcdEntityResponse {
3491
3269
  /**
@@ -3963,10 +3741,10 @@ export declare namespace DesignEstimateCostParams {
3963
3741
  /**
3964
3742
  * Optional polymer modifications. Defaults to [] when omitted.
3965
3743
  */
3966
- modifications?: Array<DesignedProteinEntity.CcdModification | DesignedProteinEntity.SmilesModification>;
3744
+ modifications?: Array<DesignedProteinEntity.Modification>;
3967
3745
  }
3968
3746
  namespace DesignedProteinEntity {
3969
- interface CcdModification {
3747
+ interface Modification {
3970
3748
  /**
3971
3749
  * 0-based index of the residue to modify
3972
3750
  */
@@ -3978,17 +3756,6 @@ export declare namespace DesignEstimateCostParams {
3978
3756
  */
3979
3757
  value: string;
3980
3758
  }
3981
- interface SmilesModification {
3982
- /**
3983
- * 0-based index of the residue to modify
3984
- */
3985
- residue_index: number;
3986
- type: 'smiles';
3987
- /**
3988
- * SMILES string for the modification
3989
- */
3990
- value: string;
3991
- }
3992
3759
  }
3993
3760
  /**
3994
3761
  * A fixed protein entity whose sequence is not redesigned.
@@ -4010,10 +3777,10 @@ export declare namespace DesignEstimateCostParams {
4010
3777
  /**
4011
3778
  * Optional polymer modifications. Defaults to [] when omitted.
4012
3779
  */
4013
- modifications?: Array<FixedProteinEntity.CcdModification | FixedProteinEntity.SmilesModification>;
3780
+ modifications?: Array<FixedProteinEntity.Modification>;
4014
3781
  }
4015
3782
  namespace FixedProteinEntity {
4016
- interface CcdModification {
3783
+ interface Modification {
4017
3784
  /**
4018
3785
  * 0-based index of the residue to modify
4019
3786
  */
@@ -4025,17 +3792,6 @@ export declare namespace DesignEstimateCostParams {
4025
3792
  */
4026
3793
  value: string;
4027
3794
  }
4028
- interface SmilesModification {
4029
- /**
4030
- * 0-based index of the residue to modify
4031
- */
4032
- residue_index: number;
4033
- type: 'smiles';
4034
- /**
4035
- * SMILES string for the modification
4036
- */
4037
- value: string;
4038
- }
4039
3795
  }
4040
3796
  interface FixedRnaEntity {
4041
3797
  /**
@@ -4054,10 +3810,10 @@ export declare namespace DesignEstimateCostParams {
4054
3810
  /**
4055
3811
  * Optional polymer modifications. Defaults to [] when omitted.
4056
3812
  */
4057
- modifications?: Array<FixedRnaEntity.CcdModification | FixedRnaEntity.SmilesModification>;
3813
+ modifications?: Array<FixedRnaEntity.Modification>;
4058
3814
  }
4059
3815
  namespace FixedRnaEntity {
4060
- interface CcdModification {
3816
+ interface Modification {
4061
3817
  /**
4062
3818
  * 0-based index of the residue to modify
4063
3819
  */
@@ -4069,17 +3825,6 @@ export declare namespace DesignEstimateCostParams {
4069
3825
  */
4070
3826
  value: string;
4071
3827
  }
4072
- interface SmilesModification {
4073
- /**
4074
- * 0-based index of the residue to modify
4075
- */
4076
- residue_index: number;
4077
- type: 'smiles';
4078
- /**
4079
- * SMILES string for the modification
4080
- */
4081
- value: string;
4082
- }
4083
3828
  }
4084
3829
  interface FixedDnaEntity {
4085
3830
  /**
@@ -4098,10 +3843,10 @@ export declare namespace DesignEstimateCostParams {
4098
3843
  /**
4099
3844
  * Optional polymer modifications. Defaults to [] when omitted.
4100
3845
  */
4101
- modifications?: Array<FixedDnaEntity.CcdModification | FixedDnaEntity.SmilesModification>;
3846
+ modifications?: Array<FixedDnaEntity.Modification>;
4102
3847
  }
4103
3848
  namespace FixedDnaEntity {
4104
- interface CcdModification {
3849
+ interface Modification {
4105
3850
  /**
4106
3851
  * 0-based index of the residue to modify
4107
3852
  */
@@ -4113,17 +3858,6 @@ export declare namespace DesignEstimateCostParams {
4113
3858
  */
4114
3859
  value: string;
4115
3860
  }
4116
- interface SmilesModification {
4117
- /**
4118
- * 0-based index of the residue to modify
4119
- */
4120
- residue_index: number;
4121
- type: 'smiles';
4122
- /**
4123
- * SMILES string for the modification
4124
- */
4125
- value: string;
4126
- }
4127
3861
  }
4128
3862
  interface FixedLigandSmilesEntity {
4129
3863
  /**
@@ -4301,7 +4035,7 @@ export declare namespace DesignEstimateCostParams {
4301
4035
  * Chains selected from the uploaded structure, keyed by chain ID. Only chains
4302
4036
  * listed here are included in the engine run — any chains omitted from this
4303
4037
  * mapping are ignored. Each value defines which residues to keep, which are
4304
- * epitope residues, and which are flexible.
4038
+ * epitope residues, which are non-binding residues, and which are flexible.
4305
4039
  */
4306
4040
  chain_selection: {
4307
4041
  [key: string]: StructureTemplateTarget.StructureTemplateTargetPolymerChainSpec | StructureTemplateTarget.StructureTemplateTargetLigandChainSpec;
@@ -4327,7 +4061,8 @@ export declare namespace DesignEstimateCostParams {
4327
4061
  crop_residues: Array<number> | 'all';
4328
4062
  /**
4329
4063
  * 0-indexed residue indices where binder contact is desired (the epitope). All
4330
- * indices must be present in crop_residues.
4064
+ * indices must be present in crop_residues and must not overlap
4065
+ * non_binding_residues.
4331
4066
  */
4332
4067
  epitope_residues?: Array<number>;
4333
4068
  /**
@@ -4335,6 +4070,11 @@ export declare namespace DesignEstimateCostParams {
4335
4070
  * regions). All indices must be present in crop_residues.
4336
4071
  */
4337
4072
  flexible_residues?: Array<number>;
4073
+ /**
4074
+ * 0-indexed residue indices where binder contact should be discouraged. All
4075
+ * indices must be present in crop_residues and must not overlap epitope_residues.
4076
+ */
4077
+ non_binding_residues?: Array<number>;
4338
4078
  }
4339
4079
  /**
4340
4080
  * Per-chain specification for a ligand chain in a structure template target. The
@@ -4386,11 +4126,19 @@ export declare namespace DesignEstimateCostParams {
4386
4126
  /**
4387
4127
  * Polymer chain residues where binder contact is desired (the epitope). Each key
4388
4128
  * is a chain ID of a polymer entity, each value is an array of 0-indexed residue
4389
- * indices.
4129
+ * indices. Residues must not overlap non_binding_residues on the same chain.
4390
4130
  */
4391
4131
  epitope_residues?: {
4392
4132
  [key: string]: Array<number>;
4393
4133
  };
4134
+ /**
4135
+ * Polymer chain residues where binder contact should be discouraged. Each key is a
4136
+ * chain ID of a polymer entity, each value is an array of 0-indexed residue
4137
+ * indices. Residues must not overlap epitope_residues on the same chain.
4138
+ */
4139
+ non_binding_residues?: {
4140
+ [key: string]: Array<number>;
4141
+ };
4394
4142
  }
4395
4143
  namespace NoTemplateTarget {
4396
4144
  interface ProteinEntity {
@@ -4411,10 +4159,10 @@ export declare namespace DesignEstimateCostParams {
4411
4159
  * Post-translational modifications. Optional; defaults to an empty list when
4412
4160
  * omitted.
4413
4161
  */
4414
- modifications?: Array<ProteinEntity.CcdModification | ProteinEntity.SmilesModification>;
4162
+ modifications?: Array<ProteinEntity.Modification>;
4415
4163
  }
4416
4164
  namespace ProteinEntity {
4417
- interface CcdModification {
4165
+ interface Modification {
4418
4166
  /**
4419
4167
  * 0-based index of the residue to modify
4420
4168
  */
@@ -4426,17 +4174,6 @@ export declare namespace DesignEstimateCostParams {
4426
4174
  */
4427
4175
  value: string;
4428
4176
  }
4429
- interface SmilesModification {
4430
- /**
4431
- * 0-based index of the residue to modify
4432
- */
4433
- residue_index: number;
4434
- type: 'smiles';
4435
- /**
4436
- * SMILES string for the modification
4437
- */
4438
- value: string;
4439
- }
4440
4177
  }
4441
4178
  interface RnaEntity {
4442
4179
  /**
@@ -4455,10 +4192,10 @@ export declare namespace DesignEstimateCostParams {
4455
4192
  /**
4456
4193
  * Chemical modifications. Optional; defaults to an empty list when omitted.
4457
4194
  */
4458
- modifications?: Array<RnaEntity.CcdModification | RnaEntity.SmilesModification>;
4195
+ modifications?: Array<RnaEntity.Modification>;
4459
4196
  }
4460
4197
  namespace RnaEntity {
4461
- interface CcdModification {
4198
+ interface Modification {
4462
4199
  /**
4463
4200
  * 0-based index of the residue to modify
4464
4201
  */
@@ -4470,17 +4207,6 @@ export declare namespace DesignEstimateCostParams {
4470
4207
  */
4471
4208
  value: string;
4472
4209
  }
4473
- interface SmilesModification {
4474
- /**
4475
- * 0-based index of the residue to modify
4476
- */
4477
- residue_index: number;
4478
- type: 'smiles';
4479
- /**
4480
- * SMILES string for the modification
4481
- */
4482
- value: string;
4483
- }
4484
4210
  }
4485
4211
  interface DnaEntity {
4486
4212
  /**
@@ -4499,10 +4225,10 @@ export declare namespace DesignEstimateCostParams {
4499
4225
  /**
4500
4226
  * Chemical modifications. Optional; defaults to an empty list when omitted.
4501
4227
  */
4502
- modifications?: Array<DnaEntity.CcdModification | DnaEntity.SmilesModification>;
4228
+ modifications?: Array<DnaEntity.Modification>;
4503
4229
  }
4504
4230
  namespace DnaEntity {
4505
- interface CcdModification {
4231
+ interface Modification {
4506
4232
  /**
4507
4233
  * 0-based index of the residue to modify
4508
4234
  */
@@ -4514,17 +4240,6 @@ export declare namespace DesignEstimateCostParams {
4514
4240
  */
4515
4241
  value: string;
4516
4242
  }
4517
- interface SmilesModification {
4518
- /**
4519
- * 0-based index of the residue to modify
4520
- */
4521
- residue_index: number;
4522
- type: 'smiles';
4523
- /**
4524
- * SMILES string for the modification
4525
- */
4526
- value: string;
4527
- }
4528
4243
  }
4529
4244
  interface LigandCcdEntity {
4530
4245
  /**
@@ -4979,10 +4694,10 @@ export declare namespace DesignStartParams {
4979
4694
  /**
4980
4695
  * Optional polymer modifications. Defaults to [] when omitted.
4981
4696
  */
4982
- modifications?: Array<DesignedProteinEntity.CcdModification | DesignedProteinEntity.SmilesModification>;
4697
+ modifications?: Array<DesignedProteinEntity.Modification>;
4983
4698
  }
4984
4699
  namespace DesignedProteinEntity {
4985
- interface CcdModification {
4700
+ interface Modification {
4986
4701
  /**
4987
4702
  * 0-based index of the residue to modify
4988
4703
  */
@@ -4994,17 +4709,6 @@ export declare namespace DesignStartParams {
4994
4709
  */
4995
4710
  value: string;
4996
4711
  }
4997
- interface SmilesModification {
4998
- /**
4999
- * 0-based index of the residue to modify
5000
- */
5001
- residue_index: number;
5002
- type: 'smiles';
5003
- /**
5004
- * SMILES string for the modification
5005
- */
5006
- value: string;
5007
- }
5008
4712
  }
5009
4713
  /**
5010
4714
  * A fixed protein entity whose sequence is not redesigned.
@@ -5026,10 +4730,10 @@ export declare namespace DesignStartParams {
5026
4730
  /**
5027
4731
  * Optional polymer modifications. Defaults to [] when omitted.
5028
4732
  */
5029
- modifications?: Array<FixedProteinEntity.CcdModification | FixedProteinEntity.SmilesModification>;
4733
+ modifications?: Array<FixedProteinEntity.Modification>;
5030
4734
  }
5031
4735
  namespace FixedProteinEntity {
5032
- interface CcdModification {
4736
+ interface Modification {
5033
4737
  /**
5034
4738
  * 0-based index of the residue to modify
5035
4739
  */
@@ -5041,17 +4745,6 @@ export declare namespace DesignStartParams {
5041
4745
  */
5042
4746
  value: string;
5043
4747
  }
5044
- interface SmilesModification {
5045
- /**
5046
- * 0-based index of the residue to modify
5047
- */
5048
- residue_index: number;
5049
- type: 'smiles';
5050
- /**
5051
- * SMILES string for the modification
5052
- */
5053
- value: string;
5054
- }
5055
4748
  }
5056
4749
  interface FixedRnaEntity {
5057
4750
  /**
@@ -5070,10 +4763,10 @@ export declare namespace DesignStartParams {
5070
4763
  /**
5071
4764
  * Optional polymer modifications. Defaults to [] when omitted.
5072
4765
  */
5073
- modifications?: Array<FixedRnaEntity.CcdModification | FixedRnaEntity.SmilesModification>;
4766
+ modifications?: Array<FixedRnaEntity.Modification>;
5074
4767
  }
5075
4768
  namespace FixedRnaEntity {
5076
- interface CcdModification {
4769
+ interface Modification {
5077
4770
  /**
5078
4771
  * 0-based index of the residue to modify
5079
4772
  */
@@ -5085,17 +4778,6 @@ export declare namespace DesignStartParams {
5085
4778
  */
5086
4779
  value: string;
5087
4780
  }
5088
- interface SmilesModification {
5089
- /**
5090
- * 0-based index of the residue to modify
5091
- */
5092
- residue_index: number;
5093
- type: 'smiles';
5094
- /**
5095
- * SMILES string for the modification
5096
- */
5097
- value: string;
5098
- }
5099
4781
  }
5100
4782
  interface FixedDnaEntity {
5101
4783
  /**
@@ -5114,10 +4796,10 @@ export declare namespace DesignStartParams {
5114
4796
  /**
5115
4797
  * Optional polymer modifications. Defaults to [] when omitted.
5116
4798
  */
5117
- modifications?: Array<FixedDnaEntity.CcdModification | FixedDnaEntity.SmilesModification>;
4799
+ modifications?: Array<FixedDnaEntity.Modification>;
5118
4800
  }
5119
4801
  namespace FixedDnaEntity {
5120
- interface CcdModification {
4802
+ interface Modification {
5121
4803
  /**
5122
4804
  * 0-based index of the residue to modify
5123
4805
  */
@@ -5129,17 +4811,6 @@ export declare namespace DesignStartParams {
5129
4811
  */
5130
4812
  value: string;
5131
4813
  }
5132
- interface SmilesModification {
5133
- /**
5134
- * 0-based index of the residue to modify
5135
- */
5136
- residue_index: number;
5137
- type: 'smiles';
5138
- /**
5139
- * SMILES string for the modification
5140
- */
5141
- value: string;
5142
- }
5143
4814
  }
5144
4815
  interface FixedLigandSmilesEntity {
5145
4816
  /**
@@ -5317,7 +4988,7 @@ export declare namespace DesignStartParams {
5317
4988
  * Chains selected from the uploaded structure, keyed by chain ID. Only chains
5318
4989
  * listed here are included in the engine run — any chains omitted from this
5319
4990
  * mapping are ignored. Each value defines which residues to keep, which are
5320
- * epitope residues, and which are flexible.
4991
+ * epitope residues, which are non-binding residues, and which are flexible.
5321
4992
  */
5322
4993
  chain_selection: {
5323
4994
  [key: string]: StructureTemplateTarget.StructureTemplateTargetPolymerChainSpec | StructureTemplateTarget.StructureTemplateTargetLigandChainSpec;
@@ -5343,7 +5014,8 @@ export declare namespace DesignStartParams {
5343
5014
  crop_residues: Array<number> | 'all';
5344
5015
  /**
5345
5016
  * 0-indexed residue indices where binder contact is desired (the epitope). All
5346
- * indices must be present in crop_residues.
5017
+ * indices must be present in crop_residues and must not overlap
5018
+ * non_binding_residues.
5347
5019
  */
5348
5020
  epitope_residues?: Array<number>;
5349
5021
  /**
@@ -5351,6 +5023,11 @@ export declare namespace DesignStartParams {
5351
5023
  * regions). All indices must be present in crop_residues.
5352
5024
  */
5353
5025
  flexible_residues?: Array<number>;
5026
+ /**
5027
+ * 0-indexed residue indices where binder contact should be discouraged. All
5028
+ * indices must be present in crop_residues and must not overlap epitope_residues.
5029
+ */
5030
+ non_binding_residues?: Array<number>;
5354
5031
  }
5355
5032
  /**
5356
5033
  * Per-chain specification for a ligand chain in a structure template target. The
@@ -5402,11 +5079,19 @@ export declare namespace DesignStartParams {
5402
5079
  /**
5403
5080
  * Polymer chain residues where binder contact is desired (the epitope). Each key
5404
5081
  * is a chain ID of a polymer entity, each value is an array of 0-indexed residue
5405
- * indices.
5082
+ * indices. Residues must not overlap non_binding_residues on the same chain.
5406
5083
  */
5407
5084
  epitope_residues?: {
5408
5085
  [key: string]: Array<number>;
5409
5086
  };
5087
+ /**
5088
+ * Polymer chain residues where binder contact should be discouraged. Each key is a
5089
+ * chain ID of a polymer entity, each value is an array of 0-indexed residue
5090
+ * indices. Residues must not overlap epitope_residues on the same chain.
5091
+ */
5092
+ non_binding_residues?: {
5093
+ [key: string]: Array<number>;
5094
+ };
5410
5095
  }
5411
5096
  namespace NoTemplateTarget {
5412
5097
  interface ProteinEntity {
@@ -5427,10 +5112,10 @@ export declare namespace DesignStartParams {
5427
5112
  * Post-translational modifications. Optional; defaults to an empty list when
5428
5113
  * omitted.
5429
5114
  */
5430
- modifications?: Array<ProteinEntity.CcdModification | ProteinEntity.SmilesModification>;
5115
+ modifications?: Array<ProteinEntity.Modification>;
5431
5116
  }
5432
5117
  namespace ProteinEntity {
5433
- interface CcdModification {
5118
+ interface Modification {
5434
5119
  /**
5435
5120
  * 0-based index of the residue to modify
5436
5121
  */
@@ -5442,17 +5127,6 @@ export declare namespace DesignStartParams {
5442
5127
  */
5443
5128
  value: string;
5444
5129
  }
5445
- interface SmilesModification {
5446
- /**
5447
- * 0-based index of the residue to modify
5448
- */
5449
- residue_index: number;
5450
- type: 'smiles';
5451
- /**
5452
- * SMILES string for the modification
5453
- */
5454
- value: string;
5455
- }
5456
5130
  }
5457
5131
  interface RnaEntity {
5458
5132
  /**
@@ -5471,10 +5145,10 @@ export declare namespace DesignStartParams {
5471
5145
  /**
5472
5146
  * Chemical modifications. Optional; defaults to an empty list when omitted.
5473
5147
  */
5474
- modifications?: Array<RnaEntity.CcdModification | RnaEntity.SmilesModification>;
5148
+ modifications?: Array<RnaEntity.Modification>;
5475
5149
  }
5476
5150
  namespace RnaEntity {
5477
- interface CcdModification {
5151
+ interface Modification {
5478
5152
  /**
5479
5153
  * 0-based index of the residue to modify
5480
5154
  */
@@ -5486,17 +5160,6 @@ export declare namespace DesignStartParams {
5486
5160
  */
5487
5161
  value: string;
5488
5162
  }
5489
- interface SmilesModification {
5490
- /**
5491
- * 0-based index of the residue to modify
5492
- */
5493
- residue_index: number;
5494
- type: 'smiles';
5495
- /**
5496
- * SMILES string for the modification
5497
- */
5498
- value: string;
5499
- }
5500
5163
  }
5501
5164
  interface DnaEntity {
5502
5165
  /**
@@ -5515,10 +5178,10 @@ export declare namespace DesignStartParams {
5515
5178
  /**
5516
5179
  * Chemical modifications. Optional; defaults to an empty list when omitted.
5517
5180
  */
5518
- modifications?: Array<DnaEntity.CcdModification | DnaEntity.SmilesModification>;
5181
+ modifications?: Array<DnaEntity.Modification>;
5519
5182
  }
5520
5183
  namespace DnaEntity {
5521
- interface CcdModification {
5184
+ interface Modification {
5522
5185
  /**
5523
5186
  * 0-based index of the residue to modify
5524
5187
  */
@@ -5530,17 +5193,6 @@ export declare namespace DesignStartParams {
5530
5193
  */
5531
5194
  value: string;
5532
5195
  }
5533
- interface SmilesModification {
5534
- /**
5535
- * 0-based index of the residue to modify
5536
- */
5537
- residue_index: number;
5538
- type: 'smiles';
5539
- /**
5540
- * SMILES string for the modification
5541
- */
5542
- value: string;
5543
- }
5544
5196
  }
5545
5197
  interface LigandCcdEntity {
5546
5198
  /**