boltz-api 0.39.0 → 0.39.1

package/CHANGELOG.md

@@ -1,5 +1,13 @@
 # Changelog
 
+## 0.39.1 (2026-05-27)
+
+Full Changelog: [v0.39.0...v0.39.1](https://github.com/boltz-bio/boltz-api-typescript/compare/v0.39.0...v0.39.1)
+
+### Documentation
+
+* document structure templates and custom MSA ([56e6c0b](https://github.com/boltz-bio/boltz-api-typescript/commit/56e6c0b0f11344fe5c7ccf725cd8a70a56054e7d))
+
 ## 0.39.0 (2026-05-27)
 
 Full Changelog: [v0.38.0...v0.39.0](https://github.com/boltz-bio/boltz-api-typescript/compare/v0.38.0...v0.39.0)

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "boltz-api",
-  "version": "0.39.0",
+  "version": "0.39.1",
   "description": "The official TypeScript library for the Boltz API",
   "author": "Boltz <contact@boltz.bio>",
   "types": "./index.d.ts",

package/resources/predictions/structure-and-binding.d.mts

@@ -3,7 +3,7 @@ import { APIPromise } from "../../core/api-promise.mjs";
 import { CursorPage, type CursorPageParams, PagePromise } from "../../core/pagination.mjs";
 import { RequestOptions } from "../../internal/request-options.mjs";
 /**
- * Predict 3D structure coordinates, per-residue confidence scores, and binding metrics for a molecular complex.
+ * Predict 3D structure coordinates, per-residue confidence scores, and binding metrics for a molecular complex. Supports optional template-guided folding and per-protein MSA control.
  */
 export declare class StructureAndBinding extends APIResource {
     /**
@@ -70,7 +70,10 @@ export declare class StructureAndBinding extends APIResource {
     estimateCost(body: StructureAndBindingEstimateCostParams, options?: RequestOptions): APIPromise<StructureAndBindingEstimateCostResponse>;
     /**
      * Submit a prediction job that produces 3D structure coordinates and confidence
-     * scores for the input molecular complex, with optional binding metrics.
+     * scores for the input molecular complex, with optional binding metrics. Protein
+     * entities can use automatic MSA generation, custom A3M/CSV MSAs, or empty MSA
+     * mode. Boltz-2.1 predictions can also include up to 4 CIF or PDB templates to
+     * guide protein-chain geometry.
      *
      * @example
      * ```ts
@@ -188,7 +191,9 @@ export declare namespace StructureAndBindingRetrieveResponse {
         num_samples?: number;
         /**
          * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
-         * or PDB templates from HTTPS URLs or base64 uploads.
+         * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
+         * to map request chains to template chains when the IDs differ or when providing
+         * multi-chain templates.
          */
         templates?: Array<Input.Template>;
     }
@@ -213,8 +218,10 @@ export declare namespace StructureAndBindingRetrieveResponse {
              */
             modifications?: Array<Boltz2ProteinEntityResponse.Modification>;
             /**
-             * Optional protein MSA control. Omit to use automatic MSA generation; use custom
-             * for user-provided A3M/CSV; use empty for single-sequence mode.
+             * Optional protein MSA control. Omit msa on all protein entities to use automatic
+             * MSA generation. Use custom for user-provided A3M/CSV files, or empty for
+             * single-sequence mode. Custom MSA and automatic MSA cannot be mixed in one
+             * request.
              */
             msa?: Boltz2ProteinEntityResponse.Boltz2CustomMsaResponse | Boltz2ProteinEntityResponse.Boltz2EmptyMsaResponse;
         }
@@ -232,11 +239,14 @@ export declare namespace StructureAndBindingRetrieveResponse {
                 value: string;
             }
             /**
-             * Custom MSA file to use for this protein entity.
+             * Use a user-provided MSA for this protein entity. If any protein entity uses a
+             * custom MSA, every other protein entity must use either custom or empty MSA;
+             * automatic MSA generation cannot be mixed with custom MSAs in the same request.
              */
             interface Boltz2CustomMsaResponse {
                 /**
-                 * Custom MSA file format. Boltz supports A3M and CSV MSA files.
+                 * Custom MSA file format. Base64 uploads must use media_type text/x-a3m for A3M or
+                 * text/csv for CSV.
                  */
                 format: 'a3m' | 'csv';
                 source: Boltz2CustomMsaResponse.Source;
@@ -255,7 +265,9 @@ export declare namespace StructureAndBindingRetrieveResponse {
                 }
             }
             /**
-             * Run this protein entity in single-sequence mode without an MSA.
+             * Run this protein entity in single-sequence mode without an MSA. Use this for
+             * chains that should not use automatic MSA generation, including non-homologous
+             * chains in a request that also includes custom MSAs.
              */
             interface Boltz2EmptyMsaResponse {
                 type: 'empty';
@@ -567,14 +579,21 @@ export declare namespace StructureAndBindingRetrieveResponse {
              */
             step_scale?: number;
         }
+        /**
+         * Template structure used as an inference-time guide for Boltz-2.1 protein-chain
+         * geometry. Provide a CIF or PDB file from an HTTPS URL or base64 upload.
+         */
         interface Template {
             /**
-             * Template structure format. Base64 sources must use a matching media_type.
+             * Template structure format. Base64 uploads must use media_type chemical/x-cif for
+             * CIF or chemical/x-pdb for PDB.
              */
             format: 'cif' | 'pdb';
             source: Template.Source;
             /**
-             * One query/template chain ID, or an ordered list of chain IDs.
+             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
+             * chain_id, values refer to input chains; for template_id, values refer to chains
+             * in the template file.
              */
             chain_id?: string | Array<string>;
             /**
@@ -582,7 +601,9 @@ export declare namespace StructureAndBindingRetrieveResponse {
              */
             force?: boolean;
             /**
-             * One query/template chain ID, or an ordered list of chain IDs.
+             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
+             * chain_id, values refer to input chains; for template_id, values refer to chains
+             * in the template file.
              */
             template_id?: string | Array<string>;
             /**
@@ -959,7 +980,9 @@ export declare namespace StructureAndBindingStartResponse {
         num_samples?: number;
         /**
          * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
-         * or PDB templates from HTTPS URLs or base64 uploads.
+         * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
+         * to map request chains to template chains when the IDs differ or when providing
+         * multi-chain templates.
          */
         templates?: Array<Input.Template>;
     }
@@ -984,8 +1007,10 @@ export declare namespace StructureAndBindingStartResponse {
              */
             modifications?: Array<Boltz2ProteinEntityResponse.Modification>;
             /**
-             * Optional protein MSA control. Omit to use automatic MSA generation; use custom
-             * for user-provided A3M/CSV; use empty for single-sequence mode.
+             * Optional protein MSA control. Omit msa on all protein entities to use automatic
+             * MSA generation. Use custom for user-provided A3M/CSV files, or empty for
+             * single-sequence mode. Custom MSA and automatic MSA cannot be mixed in one
+             * request.
              */
             msa?: Boltz2ProteinEntityResponse.Boltz2CustomMsaResponse | Boltz2ProteinEntityResponse.Boltz2EmptyMsaResponse;
         }
@@ -1003,11 +1028,14 @@ export declare namespace StructureAndBindingStartResponse {
                 value: string;
             }
             /**
-             * Custom MSA file to use for this protein entity.
+             * Use a user-provided MSA for this protein entity. If any protein entity uses a
+             * custom MSA, every other protein entity must use either custom or empty MSA;
+             * automatic MSA generation cannot be mixed with custom MSAs in the same request.
              */
             interface Boltz2CustomMsaResponse {
                 /**
-                 * Custom MSA file format. Boltz supports A3M and CSV MSA files.
+                 * Custom MSA file format. Base64 uploads must use media_type text/x-a3m for A3M or
+                 * text/csv for CSV.
                  */
                 format: 'a3m' | 'csv';
                 source: Boltz2CustomMsaResponse.Source;
@@ -1026,7 +1054,9 @@ export declare namespace StructureAndBindingStartResponse {
                 }
             }
             /**
-             * Run this protein entity in single-sequence mode without an MSA.
+             * Run this protein entity in single-sequence mode without an MSA. Use this for
+             * chains that should not use automatic MSA generation, including non-homologous
+             * chains in a request that also includes custom MSAs.
              */
             interface Boltz2EmptyMsaResponse {
                 type: 'empty';
@@ -1338,14 +1368,21 @@ export declare namespace StructureAndBindingStartResponse {
              */
             step_scale?: number;
         }
+        /**
+         * Template structure used as an inference-time guide for Boltz-2.1 protein-chain
+         * geometry. Provide a CIF or PDB file from an HTTPS URL or base64 upload.
+         */
         interface Template {
             /**
-             * Template structure format. Base64 sources must use a matching media_type.
+             * Template structure format. Base64 uploads must use media_type chemical/x-cif for
+             * CIF or chemical/x-pdb for PDB.
              */
             format: 'cif' | 'pdb';
             source: Template.Source;
             /**
-             * One query/template chain ID, or an ordered list of chain IDs.
+             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
+             * chain_id, values refer to input chains; for template_id, values refer to chains
+             * in the template file.
              */
             chain_id?: string | Array<string>;
             /**
@@ -1353,7 +1390,9 @@ export declare namespace StructureAndBindingStartResponse {
              */
             force?: boolean;
             /**
-             * One query/template chain ID, or an ordered list of chain IDs.
+             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
+             * chain_id, values refer to input chains; for template_id, values refer to chains
+             * in the template file.
              */
             template_id?: string | Array<string>;
             /**
@@ -1581,7 +1620,9 @@ export declare namespace StructureAndBindingEstimateCostParams {
         num_samples?: number;
         /**
          * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
-         * or PDB templates from HTTPS URLs or base64 uploads.
+         * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
+         * to map request chains to template chains when the IDs differ or when providing
+         * multi-chain templates.
          */
         templates?: Array<Input.Template>;
     }
@@ -1606,8 +1647,10 @@ export declare namespace StructureAndBindingEstimateCostParams {
              */
             modifications?: Array<Boltz2ProteinEntity.Modification>;
             /**
-             * Optional protein MSA control. Omit to use automatic MSA generation; use custom
-             * for user-provided A3M/CSV; use empty for single-sequence mode.
+             * Optional protein MSA control. Omit msa on all protein entities to use automatic
+             * MSA generation. Use custom for user-provided A3M/CSV files, or empty for
+             * single-sequence mode. Custom MSA and automatic MSA cannot be mixed in one
+             * request.
              */
             msa?: Boltz2ProteinEntity.Boltz2CustomMsa | Boltz2ProteinEntity.Boltz2EmptyMsa;
         }
@@ -1625,11 +1668,14 @@ export declare namespace StructureAndBindingEstimateCostParams {
                 value: string;
             }
             /**
-             * Custom MSA file to use for this protein entity.
+             * Use a user-provided MSA for this protein entity. If any protein entity uses a
+             * custom MSA, every other protein entity must use either custom or empty MSA;
+             * automatic MSA generation cannot be mixed with custom MSAs in the same request.
              */
             interface Boltz2CustomMsa {
                 /**
-                 * Custom MSA file format. Boltz supports A3M and CSV MSA files.
+                 * Custom MSA file format. Base64 uploads must use media_type text/x-a3m for A3M or
+                 * text/csv for CSV.
                  */
                 format: 'a3m' | 'csv';
                 /**
@@ -1656,7 +1702,9 @@ export declare namespace StructureAndBindingEstimateCostParams {
                 }
             }
             /**
-             * Run this protein entity in single-sequence mode without an MSA.
+             * Run this protein entity in single-sequence mode without an MSA. Use this for
+             * chains that should not use automatic MSA generation, including non-homologous
+             * chains in a request that also includes custom MSAs.
              */
             interface Boltz2EmptyMsa {
                 type: 'empty';
@@ -1968,9 +2016,14 @@ export declare namespace StructureAndBindingEstimateCostParams {
              */
             step_scale?: number;
         }
+        /**
+         * Template structure used as an inference-time guide for Boltz-2.1 protein-chain
+         * geometry. Provide a CIF or PDB file from an HTTPS URL or base64 upload.
+         */
         interface Template {
             /**
-             * Template structure format. Base64 sources must use a matching media_type.
+             * Template structure format. Base64 uploads must use media_type chemical/x-cif for
+             * CIF or chemical/x-pdb for PDB.
              */
             format: 'cif' | 'pdb';
             /**
@@ -1978,7 +2031,9 @@ export declare namespace StructureAndBindingEstimateCostParams {
              */
             source: Template.URLSource | Template.Base64Source;
             /**
-             * One query/template chain ID, or an ordered list of chain IDs.
+             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
+             * chain_id, values refer to input chains; for template_id, values refer to chains
+             * in the template file.
              */
             chain_id?: string | Array<string>;
             /**
@@ -1986,7 +2041,9 @@ export declare namespace StructureAndBindingEstimateCostParams {
              */
             force?: boolean;
             /**
-             * One query/template chain ID, or an ordered list of chain IDs.
+             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
+             * chain_id, values refer to input chains; for template_id, values refer to chains
+             * in the template file.
              */
             template_id?: string | Array<string>;
             /**
@@ -2053,7 +2110,9 @@ export declare namespace StructureAndBindingStartParams {
         num_samples?: number;
         /**
          * Template structure files to guide protein-chain prediction. Supports up to 4 CIF
-         * or PDB templates from HTTPS URLs or base64 uploads.
+         * or PDB templates from HTTPS URLs or base64 uploads. Use chain_id and template_id
+         * to map request chains to template chains when the IDs differ or when providing
+         * multi-chain templates.
          */
         templates?: Array<Input.Template>;
     }
@@ -2078,8 +2137,10 @@ export declare namespace StructureAndBindingStartParams {
              */
             modifications?: Array<Boltz2ProteinEntity.Modification>;
             /**
-             * Optional protein MSA control. Omit to use automatic MSA generation; use custom
-             * for user-provided A3M/CSV; use empty for single-sequence mode.
+             * Optional protein MSA control. Omit msa on all protein entities to use automatic
+             * MSA generation. Use custom for user-provided A3M/CSV files, or empty for
+             * single-sequence mode. Custom MSA and automatic MSA cannot be mixed in one
+             * request.
              */
             msa?: Boltz2ProteinEntity.Boltz2CustomMsa | Boltz2ProteinEntity.Boltz2EmptyMsa;
         }
@@ -2097,11 +2158,14 @@ export declare namespace StructureAndBindingStartParams {
                 value: string;
             }
             /**
-             * Custom MSA file to use for this protein entity.
+             * Use a user-provided MSA for this protein entity. If any protein entity uses a
+             * custom MSA, every other protein entity must use either custom or empty MSA;
+             * automatic MSA generation cannot be mixed with custom MSAs in the same request.
              */
             interface Boltz2CustomMsa {
                 /**
-                 * Custom MSA file format. Boltz supports A3M and CSV MSA files.
+                 * Custom MSA file format. Base64 uploads must use media_type text/x-a3m for A3M or
+                 * text/csv for CSV.
                  */
                 format: 'a3m' | 'csv';
                 /**
@@ -2128,7 +2192,9 @@ export declare namespace StructureAndBindingStartParams {
                 }
             }
             /**
-             * Run this protein entity in single-sequence mode without an MSA.
+             * Run this protein entity in single-sequence mode without an MSA. Use this for
+             * chains that should not use automatic MSA generation, including non-homologous
+             * chains in a request that also includes custom MSAs.
              */
             interface Boltz2EmptyMsa {
                 type: 'empty';
@@ -2440,9 +2506,14 @@ export declare namespace StructureAndBindingStartParams {
              */
             step_scale?: number;
         }
+        /**
+         * Template structure used as an inference-time guide for Boltz-2.1 protein-chain
+         * geometry. Provide a CIF or PDB file from an HTTPS URL or base64 upload.
+         */
         interface Template {
             /**
-             * Template structure format. Base64 sources must use a matching media_type.
+             * Template structure format. Base64 uploads must use media_type chemical/x-cif for
+             * CIF or chemical/x-pdb for PDB.
              */
             format: 'cif' | 'pdb';
             /**
@@ -2450,7 +2521,9 @@ export declare namespace StructureAndBindingStartParams {
              */
             source: Template.URLSource | Template.Base64Source;
             /**
-             * One query/template chain ID, or an ordered list of chain IDs.
+             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
+             * chain_id, values refer to input chains; for template_id, values refer to chains
+             * in the template file.
              */
             chain_id?: string | Array<string>;
             /**
@@ -2458,7 +2531,9 @@ export declare namespace StructureAndBindingStartParams {
              */
             force?: boolean;
             /**
-             * One query/template chain ID, or an ordered list of chain IDs.
+             * One chain ID, or an ordered list of chain IDs for multi-chain templates. For
+             * chain_id, values refer to input chains; for template_id, values refer to chains
+             * in the template file.
              */
             template_id?: string | Array<string>;
             /**

package/resources/predictions/structure-and-binding.d.mts.map

@@ -1 +1 @@
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