boltz-api 0.39.2 → 0.40.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/CHANGELOG.md +16 -0
- package/package.json +1 -1
- package/resources/predictions/structure-and-binding.d.mts +108 -16
- package/resources/predictions/structure-and-binding.d.mts.map +1 -1
- package/resources/predictions/structure-and-binding.d.ts +108 -16
- package/resources/predictions/structure-and-binding.d.ts.map +1 -1
- package/resources/protein/design.d.mts +382 -44
- package/resources/protein/design.d.mts.map +1 -1
- package/resources/protein/design.d.ts +382 -44
- package/resources/protein/design.d.ts.map +1 -1
- package/resources/protein/library-screen.d.mts +216 -32
- package/resources/protein/library-screen.d.mts.map +1 -1
- package/resources/protein/library-screen.d.ts +216 -32
- package/resources/protein/library-screen.d.ts.map +1 -1
- package/resources/small-molecule/design.d.mts +85 -10
- package/resources/small-molecule/design.d.mts.map +1 -1
- package/resources/small-molecule/design.d.ts +85 -10
- package/resources/small-molecule/design.d.ts.map +1 -1
- package/resources/small-molecule/library-screen.d.mts +45 -10
- package/resources/small-molecule/library-screen.d.mts.map +1 -1
- package/resources/small-molecule/library-screen.d.ts +45 -10
- package/resources/small-molecule/library-screen.d.ts.map +1 -1
- package/src/resources/predictions/structure-and-binding.ts +108 -16
- package/src/resources/protein/design.ts +390 -44
- package/src/resources/protein/library-screen.ts +216 -32
- package/src/resources/small-molecule/design.ts +93 -10
- package/src/resources/small-molecule/library-screen.ts +45 -10
- package/src/version.ts +1 -1
- package/version.d.mts +1 -1
- package/version.d.ts +1 -1
- package/version.js +1 -1
- package/version.mjs +1 -1
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@@ -421,16 +421,24 @@ export declare namespace DesignRetrieveResponse {
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*/
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cyclic?: boolean;
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/**
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* Optional polymer modifications. Defaults to [] when omitted.
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* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
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* modifications are not supported.
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*/
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modifications?: Array<DesignedProteinEntityResponse.Modification>;
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}
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namespace DesignedProteinEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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/**
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* 0-based index of the residue to modify
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*/
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residue_index: number;
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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
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@@ -457,16 +465,24 @@ export declare namespace DesignRetrieveResponse {
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*/
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cyclic?: boolean;
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/**
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* Optional polymer modifications. Defaults to [] when omitted.
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* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
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* modifications are not supported.
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*/
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modifications?: Array<FixedProteinEntityResponse.Modification>;
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}
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namespace FixedProteinEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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/**
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* 0-based index of the residue to modify
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*/
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residue_index: number;
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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
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@@ -490,16 +506,24 @@ export declare namespace DesignRetrieveResponse {
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*/
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cyclic?: boolean;
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/**
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* Optional polymer modifications. Defaults to [] when omitted.
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* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
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* modifications are not supported.
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*/
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modifications?: Array<FixedRnaEntityResponse.Modification>;
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}
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namespace FixedRnaEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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/**
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* 0-based index of the residue to modify
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*/
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residue_index: number;
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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
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*/
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cyclic?: boolean;
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/**
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* Optional polymer modifications. Defaults to [] when omitted.
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* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
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* modifications are not supported.
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*/
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modifications?: Array<FixedDnaEntityResponse.Modification>;
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}
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namespace FixedDnaEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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/**
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* 0-based index of the residue to modify
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*/
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residue_index: number;
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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
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*/
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cyclic?: boolean;
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/**
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*
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* omitted.
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* CCD post-translational modifications. Optional; defaults to an empty list when
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* omitted. SMILES modifications are not supported.
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*/
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modifications?: Array<ProteinEntityResponse.Modification>;
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}
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namespace ProteinEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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/**
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* 0-based index of the residue to modify
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*/
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residue_index: number;
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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
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*/
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cyclic?: boolean;
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/**
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*
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* CCD chemical modifications. Optional; defaults to an empty list when omitted.
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* SMILES modifications are not supported.
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*/
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modifications?: Array<RnaEntityResponse.Modification>;
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}
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namespace RnaEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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* are not accepted.
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*/
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interface Modification {
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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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/**
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* Modification format. Only CCD polymer modifications are supported.
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*/
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type: 'ccd';
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/**
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*/
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cyclic?: boolean;
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/**
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* SMILES modifications are not supported.
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*/
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modifications?: Array<DnaEntityResponse.Modification>;
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}
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namespace DnaEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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*/
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interface Modification {
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*/
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residue_index: number;
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/**
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type: 'ccd';
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/**
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* ID of the most recently generated result
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*/
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latest_result_id?: string;
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/**
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* Cumulative number of designs produced by the model before filtering and
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* deduplication. Useful for monitoring generation efficiency.
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*/
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/**
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* became scoreable samples.
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}
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}
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/**
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}
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}
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export interface DesignDeleteDataResponse {
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*/
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}
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namespace ProteinEntity {
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*/
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interface Modification {
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*/
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type: 'ccd';
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/**
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namespace RnaEntity {
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interface Modification {
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*/
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type: 'ccd';
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namespace DnaEntity {
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interface Modification {
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type: 'ccd';
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/**
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* modifications are not supported.
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namespace DesignedProteinEntityResponse {
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/**
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* Polymer residue modification. Only CCD codes are supported; SMILES modifications
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*/
|
|
1774
1877
|
interface Modification {
|
|
1775
1878
|
/**
|
|
1776
1879
|
* 0-based index of the residue to modify
|
|
1777
1880
|
*/
|
|
1778
1881
|
residue_index: number;
|
|
1882
|
+
/**
|
|
1883
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
1884
|
+
*/
|
|
1779
1885
|
type: 'ccd';
|
|
1780
1886
|
/**
|
|
1781
1887
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -1802,16 +1908,24 @@ export declare namespace DesignStartResponse {
|
|
|
1802
1908
|
*/
|
|
1803
1909
|
cyclic?: boolean;
|
|
1804
1910
|
/**
|
|
1805
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
1911
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
1912
|
+
* modifications are not supported.
|
|
1806
1913
|
*/
|
|
1807
1914
|
modifications?: Array<FixedProteinEntityResponse.Modification>;
|
|
1808
1915
|
}
|
|
1809
1916
|
namespace FixedProteinEntityResponse {
|
|
1917
|
+
/**
|
|
1918
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
1919
|
+
* are not accepted.
|
|
1920
|
+
*/
|
|
1810
1921
|
interface Modification {
|
|
1811
1922
|
/**
|
|
1812
1923
|
* 0-based index of the residue to modify
|
|
1813
1924
|
*/
|
|
1814
1925
|
residue_index: number;
|
|
1926
|
+
/**
|
|
1927
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
1928
|
+
*/
|
|
1815
1929
|
type: 'ccd';
|
|
1816
1930
|
/**
|
|
1817
1931
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -1835,16 +1949,24 @@ export declare namespace DesignStartResponse {
|
|
|
1835
1949
|
*/
|
|
1836
1950
|
cyclic?: boolean;
|
|
1837
1951
|
/**
|
|
1838
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
1952
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
1953
|
+
* modifications are not supported.
|
|
1839
1954
|
*/
|
|
1840
1955
|
modifications?: Array<FixedRnaEntityResponse.Modification>;
|
|
1841
1956
|
}
|
|
1842
1957
|
namespace FixedRnaEntityResponse {
|
|
1958
|
+
/**
|
|
1959
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
1960
|
+
* are not accepted.
|
|
1961
|
+
*/
|
|
1843
1962
|
interface Modification {
|
|
1844
1963
|
/**
|
|
1845
1964
|
* 0-based index of the residue to modify
|
|
1846
1965
|
*/
|
|
1847
1966
|
residue_index: number;
|
|
1967
|
+
/**
|
|
1968
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
1969
|
+
*/
|
|
1848
1970
|
type: 'ccd';
|
|
1849
1971
|
/**
|
|
1850
1972
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -1868,16 +1990,24 @@ export declare namespace DesignStartResponse {
|
|
|
1868
1990
|
*/
|
|
1869
1991
|
cyclic?: boolean;
|
|
1870
1992
|
/**
|
|
1871
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
1993
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
1994
|
+
* modifications are not supported.
|
|
1872
1995
|
*/
|
|
1873
1996
|
modifications?: Array<FixedDnaEntityResponse.Modification>;
|
|
1874
1997
|
}
|
|
1875
1998
|
namespace FixedDnaEntityResponse {
|
|
1999
|
+
/**
|
|
2000
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2001
|
+
* are not accepted.
|
|
2002
|
+
*/
|
|
1876
2003
|
interface Modification {
|
|
1877
2004
|
/**
|
|
1878
2005
|
* 0-based index of the residue to modify
|
|
1879
2006
|
*/
|
|
1880
2007
|
residue_index: number;
|
|
2008
|
+
/**
|
|
2009
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2010
|
+
*/
|
|
1881
2011
|
type: 'ccd';
|
|
1882
2012
|
/**
|
|
1883
2013
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2174,17 +2304,24 @@ export declare namespace DesignStartResponse {
|
|
|
2174
2304
|
*/
|
|
2175
2305
|
cyclic?: boolean;
|
|
2176
2306
|
/**
|
|
2177
|
-
*
|
|
2178
|
-
* omitted.
|
|
2307
|
+
* CCD post-translational modifications. Optional; defaults to an empty list when
|
|
2308
|
+
* omitted. SMILES modifications are not supported.
|
|
2179
2309
|
*/
|
|
2180
2310
|
modifications?: Array<ProteinEntityResponse.Modification>;
|
|
2181
2311
|
}
|
|
2182
2312
|
namespace ProteinEntityResponse {
|
|
2313
|
+
/**
|
|
2314
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2315
|
+
* are not accepted.
|
|
2316
|
+
*/
|
|
2183
2317
|
interface Modification {
|
|
2184
2318
|
/**
|
|
2185
2319
|
* 0-based index of the residue to modify
|
|
2186
2320
|
*/
|
|
2187
2321
|
residue_index: number;
|
|
2322
|
+
/**
|
|
2323
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2324
|
+
*/
|
|
2188
2325
|
type: 'ccd';
|
|
2189
2326
|
/**
|
|
2190
2327
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2208,16 +2345,24 @@ export declare namespace DesignStartResponse {
|
|
|
2208
2345
|
*/
|
|
2209
2346
|
cyclic?: boolean;
|
|
2210
2347
|
/**
|
|
2211
|
-
*
|
|
2348
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2349
|
+
* SMILES modifications are not supported.
|
|
2212
2350
|
*/
|
|
2213
2351
|
modifications?: Array<RnaEntityResponse.Modification>;
|
|
2214
2352
|
}
|
|
2215
2353
|
namespace RnaEntityResponse {
|
|
2354
|
+
/**
|
|
2355
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2356
|
+
* are not accepted.
|
|
2357
|
+
*/
|
|
2216
2358
|
interface Modification {
|
|
2217
2359
|
/**
|
|
2218
2360
|
* 0-based index of the residue to modify
|
|
2219
2361
|
*/
|
|
2220
2362
|
residue_index: number;
|
|
2363
|
+
/**
|
|
2364
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2365
|
+
*/
|
|
2221
2366
|
type: 'ccd';
|
|
2222
2367
|
/**
|
|
2223
2368
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2241,16 +2386,24 @@ export declare namespace DesignStartResponse {
|
|
|
2241
2386
|
*/
|
|
2242
2387
|
cyclic?: boolean;
|
|
2243
2388
|
/**
|
|
2244
|
-
*
|
|
2389
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
2390
|
+
* SMILES modifications are not supported.
|
|
2245
2391
|
*/
|
|
2246
2392
|
modifications?: Array<DnaEntityResponse.Modification>;
|
|
2247
2393
|
}
|
|
2248
2394
|
namespace DnaEntityResponse {
|
|
2395
|
+
/**
|
|
2396
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2397
|
+
* are not accepted.
|
|
2398
|
+
*/
|
|
2249
2399
|
interface Modification {
|
|
2250
2400
|
/**
|
|
2251
2401
|
* 0-based index of the residue to modify
|
|
2252
2402
|
*/
|
|
2253
2403
|
residue_index: number;
|
|
2404
|
+
/**
|
|
2405
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2406
|
+
*/
|
|
2254
2407
|
type: 'ccd';
|
|
2255
2408
|
/**
|
|
2256
2409
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2484,6 +2637,16 @@ export declare namespace DesignStartResponse {
|
|
|
2484
2637
|
* ID of the most recently generated result
|
|
2485
2638
|
*/
|
|
2486
2639
|
latest_result_id?: string;
|
|
2640
|
+
/**
|
|
2641
|
+
* Cumulative number of designs produced by the model before filtering and
|
|
2642
|
+
* deduplication. Useful for monitoring generation efficiency.
|
|
2643
|
+
*/
|
|
2644
|
+
total_proteins_generated_pre_filter?: number;
|
|
2645
|
+
/**
|
|
2646
|
+
* Cumulative number of designs that survived filtering and deduplication and
|
|
2647
|
+
* became scoreable samples.
|
|
2648
|
+
*/
|
|
2649
|
+
total_proteins_inserted?: number;
|
|
2487
2650
|
}
|
|
2488
2651
|
}
|
|
2489
2652
|
/**
|
|
@@ -2772,16 +2935,24 @@ export declare namespace DesignStopResponse {
|
|
|
2772
2935
|
*/
|
|
2773
2936
|
cyclic?: boolean;
|
|
2774
2937
|
/**
|
|
2775
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
2938
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
2939
|
+
* modifications are not supported.
|
|
2776
2940
|
*/
|
|
2777
2941
|
modifications?: Array<DesignedProteinEntityResponse.Modification>;
|
|
2778
2942
|
}
|
|
2779
2943
|
namespace DesignedProteinEntityResponse {
|
|
2944
|
+
/**
|
|
2945
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2946
|
+
* are not accepted.
|
|
2947
|
+
*/
|
|
2780
2948
|
interface Modification {
|
|
2781
2949
|
/**
|
|
2782
2950
|
* 0-based index of the residue to modify
|
|
2783
2951
|
*/
|
|
2784
2952
|
residue_index: number;
|
|
2953
|
+
/**
|
|
2954
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2955
|
+
*/
|
|
2785
2956
|
type: 'ccd';
|
|
2786
2957
|
/**
|
|
2787
2958
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2808,16 +2979,24 @@ export declare namespace DesignStopResponse {
|
|
|
2808
2979
|
*/
|
|
2809
2980
|
cyclic?: boolean;
|
|
2810
2981
|
/**
|
|
2811
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
2982
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
2983
|
+
* modifications are not supported.
|
|
2812
2984
|
*/
|
|
2813
2985
|
modifications?: Array<FixedProteinEntityResponse.Modification>;
|
|
2814
2986
|
}
|
|
2815
2987
|
namespace FixedProteinEntityResponse {
|
|
2988
|
+
/**
|
|
2989
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
2990
|
+
* are not accepted.
|
|
2991
|
+
*/
|
|
2816
2992
|
interface Modification {
|
|
2817
2993
|
/**
|
|
2818
2994
|
* 0-based index of the residue to modify
|
|
2819
2995
|
*/
|
|
2820
2996
|
residue_index: number;
|
|
2997
|
+
/**
|
|
2998
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
2999
|
+
*/
|
|
2821
3000
|
type: 'ccd';
|
|
2822
3001
|
/**
|
|
2823
3002
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2841,16 +3020,24 @@ export declare namespace DesignStopResponse {
|
|
|
2841
3020
|
*/
|
|
2842
3021
|
cyclic?: boolean;
|
|
2843
3022
|
/**
|
|
2844
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
3023
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
3024
|
+
* modifications are not supported.
|
|
2845
3025
|
*/
|
|
2846
3026
|
modifications?: Array<FixedRnaEntityResponse.Modification>;
|
|
2847
3027
|
}
|
|
2848
3028
|
namespace FixedRnaEntityResponse {
|
|
3029
|
+
/**
|
|
3030
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
3031
|
+
* are not accepted.
|
|
3032
|
+
*/
|
|
2849
3033
|
interface Modification {
|
|
2850
3034
|
/**
|
|
2851
3035
|
* 0-based index of the residue to modify
|
|
2852
3036
|
*/
|
|
2853
3037
|
residue_index: number;
|
|
3038
|
+
/**
|
|
3039
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
3040
|
+
*/
|
|
2854
3041
|
type: 'ccd';
|
|
2855
3042
|
/**
|
|
2856
3043
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -2874,16 +3061,24 @@ export declare namespace DesignStopResponse {
|
|
|
2874
3061
|
*/
|
|
2875
3062
|
cyclic?: boolean;
|
|
2876
3063
|
/**
|
|
2877
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
3064
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
3065
|
+
* modifications are not supported.
|
|
2878
3066
|
*/
|
|
2879
3067
|
modifications?: Array<FixedDnaEntityResponse.Modification>;
|
|
2880
3068
|
}
|
|
2881
3069
|
namespace FixedDnaEntityResponse {
|
|
3070
|
+
/**
|
|
3071
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
3072
|
+
* are not accepted.
|
|
3073
|
+
*/
|
|
2882
3074
|
interface Modification {
|
|
2883
3075
|
/**
|
|
2884
3076
|
* 0-based index of the residue to modify
|
|
2885
3077
|
*/
|
|
2886
3078
|
residue_index: number;
|
|
3079
|
+
/**
|
|
3080
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
3081
|
+
*/
|
|
2887
3082
|
type: 'ccd';
|
|
2888
3083
|
/**
|
|
2889
3084
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -3180,17 +3375,24 @@ export declare namespace DesignStopResponse {
|
|
|
3180
3375
|
*/
|
|
3181
3376
|
cyclic?: boolean;
|
|
3182
3377
|
/**
|
|
3183
|
-
*
|
|
3184
|
-
* omitted.
|
|
3378
|
+
* CCD post-translational modifications. Optional; defaults to an empty list when
|
|
3379
|
+
* omitted. SMILES modifications are not supported.
|
|
3185
3380
|
*/
|
|
3186
3381
|
modifications?: Array<ProteinEntityResponse.Modification>;
|
|
3187
3382
|
}
|
|
3188
3383
|
namespace ProteinEntityResponse {
|
|
3384
|
+
/**
|
|
3385
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
3386
|
+
* are not accepted.
|
|
3387
|
+
*/
|
|
3189
3388
|
interface Modification {
|
|
3190
3389
|
/**
|
|
3191
3390
|
* 0-based index of the residue to modify
|
|
3192
3391
|
*/
|
|
3193
3392
|
residue_index: number;
|
|
3393
|
+
/**
|
|
3394
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
3395
|
+
*/
|
|
3194
3396
|
type: 'ccd';
|
|
3195
3397
|
/**
|
|
3196
3398
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -3214,16 +3416,24 @@ export declare namespace DesignStopResponse {
|
|
|
3214
3416
|
*/
|
|
3215
3417
|
cyclic?: boolean;
|
|
3216
3418
|
/**
|
|
3217
|
-
*
|
|
3419
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
3420
|
+
* SMILES modifications are not supported.
|
|
3218
3421
|
*/
|
|
3219
3422
|
modifications?: Array<RnaEntityResponse.Modification>;
|
|
3220
3423
|
}
|
|
3221
3424
|
namespace RnaEntityResponse {
|
|
3425
|
+
/**
|
|
3426
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
3427
|
+
* are not accepted.
|
|
3428
|
+
*/
|
|
3222
3429
|
interface Modification {
|
|
3223
3430
|
/**
|
|
3224
3431
|
* 0-based index of the residue to modify
|
|
3225
3432
|
*/
|
|
3226
3433
|
residue_index: number;
|
|
3434
|
+
/**
|
|
3435
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
3436
|
+
*/
|
|
3227
3437
|
type: 'ccd';
|
|
3228
3438
|
/**
|
|
3229
3439
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -3247,16 +3457,24 @@ export declare namespace DesignStopResponse {
|
|
|
3247
3457
|
*/
|
|
3248
3458
|
cyclic?: boolean;
|
|
3249
3459
|
/**
|
|
3250
|
-
*
|
|
3460
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
3461
|
+
* SMILES modifications are not supported.
|
|
3251
3462
|
*/
|
|
3252
3463
|
modifications?: Array<DnaEntityResponse.Modification>;
|
|
3253
3464
|
}
|
|
3254
3465
|
namespace DnaEntityResponse {
|
|
3466
|
+
/**
|
|
3467
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
3468
|
+
* are not accepted.
|
|
3469
|
+
*/
|
|
3255
3470
|
interface Modification {
|
|
3256
3471
|
/**
|
|
3257
3472
|
* 0-based index of the residue to modify
|
|
3258
3473
|
*/
|
|
3259
3474
|
residue_index: number;
|
|
3475
|
+
/**
|
|
3476
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
3477
|
+
*/
|
|
3260
3478
|
type: 'ccd';
|
|
3261
3479
|
/**
|
|
3262
3480
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -3490,6 +3708,16 @@ export declare namespace DesignStopResponse {
|
|
|
3490
3708
|
* ID of the most recently generated result
|
|
3491
3709
|
*/
|
|
3492
3710
|
latest_result_id?: string;
|
|
3711
|
+
/**
|
|
3712
|
+
* Cumulative number of designs produced by the model before filtering and
|
|
3713
|
+
* deduplication. Useful for monitoring generation efficiency.
|
|
3714
|
+
*/
|
|
3715
|
+
total_proteins_generated_pre_filter?: number;
|
|
3716
|
+
/**
|
|
3717
|
+
* Cumulative number of designs that survived filtering and deduplication and
|
|
3718
|
+
* became scoreable samples.
|
|
3719
|
+
*/
|
|
3720
|
+
total_proteins_inserted?: number;
|
|
3493
3721
|
}
|
|
3494
3722
|
}
|
|
3495
3723
|
export interface DesignRetrieveParams {
|
|
@@ -3739,16 +3967,24 @@ export declare namespace DesignEstimateCostParams {
|
|
|
3739
3967
|
*/
|
|
3740
3968
|
cyclic?: boolean;
|
|
3741
3969
|
/**
|
|
3742
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
3970
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
3971
|
+
* modifications are not supported.
|
|
3743
3972
|
*/
|
|
3744
3973
|
modifications?: Array<DesignedProteinEntity.Modification>;
|
|
3745
3974
|
}
|
|
3746
3975
|
namespace DesignedProteinEntity {
|
|
3976
|
+
/**
|
|
3977
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
3978
|
+
* are not accepted.
|
|
3979
|
+
*/
|
|
3747
3980
|
interface Modification {
|
|
3748
3981
|
/**
|
|
3749
3982
|
* 0-based index of the residue to modify
|
|
3750
3983
|
*/
|
|
3751
3984
|
residue_index: number;
|
|
3985
|
+
/**
|
|
3986
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
3987
|
+
*/
|
|
3752
3988
|
type: 'ccd';
|
|
3753
3989
|
/**
|
|
3754
3990
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -3775,16 +4011,24 @@ export declare namespace DesignEstimateCostParams {
|
|
|
3775
4011
|
*/
|
|
3776
4012
|
cyclic?: boolean;
|
|
3777
4013
|
/**
|
|
3778
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
4014
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
4015
|
+
* modifications are not supported.
|
|
3779
4016
|
*/
|
|
3780
4017
|
modifications?: Array<FixedProteinEntity.Modification>;
|
|
3781
4018
|
}
|
|
3782
4019
|
namespace FixedProteinEntity {
|
|
4020
|
+
/**
|
|
4021
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
4022
|
+
* are not accepted.
|
|
4023
|
+
*/
|
|
3783
4024
|
interface Modification {
|
|
3784
4025
|
/**
|
|
3785
4026
|
* 0-based index of the residue to modify
|
|
3786
4027
|
*/
|
|
3787
4028
|
residue_index: number;
|
|
4029
|
+
/**
|
|
4030
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
4031
|
+
*/
|
|
3788
4032
|
type: 'ccd';
|
|
3789
4033
|
/**
|
|
3790
4034
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -3808,16 +4052,24 @@ export declare namespace DesignEstimateCostParams {
|
|
|
3808
4052
|
*/
|
|
3809
4053
|
cyclic?: boolean;
|
|
3810
4054
|
/**
|
|
3811
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
4055
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
4056
|
+
* modifications are not supported.
|
|
3812
4057
|
*/
|
|
3813
4058
|
modifications?: Array<FixedRnaEntity.Modification>;
|
|
3814
4059
|
}
|
|
3815
4060
|
namespace FixedRnaEntity {
|
|
4061
|
+
/**
|
|
4062
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
4063
|
+
* are not accepted.
|
|
4064
|
+
*/
|
|
3816
4065
|
interface Modification {
|
|
3817
4066
|
/**
|
|
3818
4067
|
* 0-based index of the residue to modify
|
|
3819
4068
|
*/
|
|
3820
4069
|
residue_index: number;
|
|
4070
|
+
/**
|
|
4071
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
4072
|
+
*/
|
|
3821
4073
|
type: 'ccd';
|
|
3822
4074
|
/**
|
|
3823
4075
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -3841,16 +4093,24 @@ export declare namespace DesignEstimateCostParams {
|
|
|
3841
4093
|
*/
|
|
3842
4094
|
cyclic?: boolean;
|
|
3843
4095
|
/**
|
|
3844
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
4096
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
4097
|
+
* modifications are not supported.
|
|
3845
4098
|
*/
|
|
3846
4099
|
modifications?: Array<FixedDnaEntity.Modification>;
|
|
3847
4100
|
}
|
|
3848
4101
|
namespace FixedDnaEntity {
|
|
4102
|
+
/**
|
|
4103
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
4104
|
+
* are not accepted.
|
|
4105
|
+
*/
|
|
3849
4106
|
interface Modification {
|
|
3850
4107
|
/**
|
|
3851
4108
|
* 0-based index of the residue to modify
|
|
3852
4109
|
*/
|
|
3853
4110
|
residue_index: number;
|
|
4111
|
+
/**
|
|
4112
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
4113
|
+
*/
|
|
3854
4114
|
type: 'ccd';
|
|
3855
4115
|
/**
|
|
3856
4116
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -4156,17 +4416,24 @@ export declare namespace DesignEstimateCostParams {
|
|
|
4156
4416
|
*/
|
|
4157
4417
|
cyclic?: boolean;
|
|
4158
4418
|
/**
|
|
4159
|
-
*
|
|
4160
|
-
* omitted.
|
|
4419
|
+
* CCD post-translational modifications. Optional; defaults to an empty list when
|
|
4420
|
+
* omitted. SMILES modifications are not supported.
|
|
4161
4421
|
*/
|
|
4162
4422
|
modifications?: Array<ProteinEntity.Modification>;
|
|
4163
4423
|
}
|
|
4164
4424
|
namespace ProteinEntity {
|
|
4425
|
+
/**
|
|
4426
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
4427
|
+
* are not accepted.
|
|
4428
|
+
*/
|
|
4165
4429
|
interface Modification {
|
|
4166
4430
|
/**
|
|
4167
4431
|
* 0-based index of the residue to modify
|
|
4168
4432
|
*/
|
|
4169
4433
|
residue_index: number;
|
|
4434
|
+
/**
|
|
4435
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
4436
|
+
*/
|
|
4170
4437
|
type: 'ccd';
|
|
4171
4438
|
/**
|
|
4172
4439
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -4190,16 +4457,24 @@ export declare namespace DesignEstimateCostParams {
|
|
|
4190
4457
|
*/
|
|
4191
4458
|
cyclic?: boolean;
|
|
4192
4459
|
/**
|
|
4193
|
-
*
|
|
4460
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
4461
|
+
* SMILES modifications are not supported.
|
|
4194
4462
|
*/
|
|
4195
4463
|
modifications?: Array<RnaEntity.Modification>;
|
|
4196
4464
|
}
|
|
4197
4465
|
namespace RnaEntity {
|
|
4466
|
+
/**
|
|
4467
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
4468
|
+
* are not accepted.
|
|
4469
|
+
*/
|
|
4198
4470
|
interface Modification {
|
|
4199
4471
|
/**
|
|
4200
4472
|
* 0-based index of the residue to modify
|
|
4201
4473
|
*/
|
|
4202
4474
|
residue_index: number;
|
|
4475
|
+
/**
|
|
4476
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
4477
|
+
*/
|
|
4203
4478
|
type: 'ccd';
|
|
4204
4479
|
/**
|
|
4205
4480
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -4223,16 +4498,24 @@ export declare namespace DesignEstimateCostParams {
|
|
|
4223
4498
|
*/
|
|
4224
4499
|
cyclic?: boolean;
|
|
4225
4500
|
/**
|
|
4226
|
-
*
|
|
4501
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
4502
|
+
* SMILES modifications are not supported.
|
|
4227
4503
|
*/
|
|
4228
4504
|
modifications?: Array<DnaEntity.Modification>;
|
|
4229
4505
|
}
|
|
4230
4506
|
namespace DnaEntity {
|
|
4507
|
+
/**
|
|
4508
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
4509
|
+
* are not accepted.
|
|
4510
|
+
*/
|
|
4231
4511
|
interface Modification {
|
|
4232
4512
|
/**
|
|
4233
4513
|
* 0-based index of the residue to modify
|
|
4234
4514
|
*/
|
|
4235
4515
|
residue_index: number;
|
|
4516
|
+
/**
|
|
4517
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
4518
|
+
*/
|
|
4236
4519
|
type: 'ccd';
|
|
4237
4520
|
/**
|
|
4238
4521
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -4692,16 +4975,24 @@ export declare namespace DesignStartParams {
|
|
|
4692
4975
|
*/
|
|
4693
4976
|
cyclic?: boolean;
|
|
4694
4977
|
/**
|
|
4695
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
4978
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
4979
|
+
* modifications are not supported.
|
|
4696
4980
|
*/
|
|
4697
4981
|
modifications?: Array<DesignedProteinEntity.Modification>;
|
|
4698
4982
|
}
|
|
4699
4983
|
namespace DesignedProteinEntity {
|
|
4984
|
+
/**
|
|
4985
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
4986
|
+
* are not accepted.
|
|
4987
|
+
*/
|
|
4700
4988
|
interface Modification {
|
|
4701
4989
|
/**
|
|
4702
4990
|
* 0-based index of the residue to modify
|
|
4703
4991
|
*/
|
|
4704
4992
|
residue_index: number;
|
|
4993
|
+
/**
|
|
4994
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
4995
|
+
*/
|
|
4705
4996
|
type: 'ccd';
|
|
4706
4997
|
/**
|
|
4707
4998
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -4728,16 +5019,24 @@ export declare namespace DesignStartParams {
|
|
|
4728
5019
|
*/
|
|
4729
5020
|
cyclic?: boolean;
|
|
4730
5021
|
/**
|
|
4731
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
5022
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
5023
|
+
* modifications are not supported.
|
|
4732
5024
|
*/
|
|
4733
5025
|
modifications?: Array<FixedProteinEntity.Modification>;
|
|
4734
5026
|
}
|
|
4735
5027
|
namespace FixedProteinEntity {
|
|
5028
|
+
/**
|
|
5029
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
5030
|
+
* are not accepted.
|
|
5031
|
+
*/
|
|
4736
5032
|
interface Modification {
|
|
4737
5033
|
/**
|
|
4738
5034
|
* 0-based index of the residue to modify
|
|
4739
5035
|
*/
|
|
4740
5036
|
residue_index: number;
|
|
5037
|
+
/**
|
|
5038
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
5039
|
+
*/
|
|
4741
5040
|
type: 'ccd';
|
|
4742
5041
|
/**
|
|
4743
5042
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -4761,16 +5060,24 @@ export declare namespace DesignStartParams {
|
|
|
4761
5060
|
*/
|
|
4762
5061
|
cyclic?: boolean;
|
|
4763
5062
|
/**
|
|
4764
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
5063
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
5064
|
+
* modifications are not supported.
|
|
4765
5065
|
*/
|
|
4766
5066
|
modifications?: Array<FixedRnaEntity.Modification>;
|
|
4767
5067
|
}
|
|
4768
5068
|
namespace FixedRnaEntity {
|
|
5069
|
+
/**
|
|
5070
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
5071
|
+
* are not accepted.
|
|
5072
|
+
*/
|
|
4769
5073
|
interface Modification {
|
|
4770
5074
|
/**
|
|
4771
5075
|
* 0-based index of the residue to modify
|
|
4772
5076
|
*/
|
|
4773
5077
|
residue_index: number;
|
|
5078
|
+
/**
|
|
5079
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
5080
|
+
*/
|
|
4774
5081
|
type: 'ccd';
|
|
4775
5082
|
/**
|
|
4776
5083
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -4794,16 +5101,24 @@ export declare namespace DesignStartParams {
|
|
|
4794
5101
|
*/
|
|
4795
5102
|
cyclic?: boolean;
|
|
4796
5103
|
/**
|
|
4797
|
-
* Optional polymer modifications. Defaults to [] when omitted.
|
|
5104
|
+
* Optional CCD polymer modifications. Defaults to [] when omitted. SMILES
|
|
5105
|
+
* modifications are not supported.
|
|
4798
5106
|
*/
|
|
4799
5107
|
modifications?: Array<FixedDnaEntity.Modification>;
|
|
4800
5108
|
}
|
|
4801
5109
|
namespace FixedDnaEntity {
|
|
5110
|
+
/**
|
|
5111
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
5112
|
+
* are not accepted.
|
|
5113
|
+
*/
|
|
4802
5114
|
interface Modification {
|
|
4803
5115
|
/**
|
|
4804
5116
|
* 0-based index of the residue to modify
|
|
4805
5117
|
*/
|
|
4806
5118
|
residue_index: number;
|
|
5119
|
+
/**
|
|
5120
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
5121
|
+
*/
|
|
4807
5122
|
type: 'ccd';
|
|
4808
5123
|
/**
|
|
4809
5124
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -5109,17 +5424,24 @@ export declare namespace DesignStartParams {
|
|
|
5109
5424
|
*/
|
|
5110
5425
|
cyclic?: boolean;
|
|
5111
5426
|
/**
|
|
5112
|
-
*
|
|
5113
|
-
* omitted.
|
|
5427
|
+
* CCD post-translational modifications. Optional; defaults to an empty list when
|
|
5428
|
+
* omitted. SMILES modifications are not supported.
|
|
5114
5429
|
*/
|
|
5115
5430
|
modifications?: Array<ProteinEntity.Modification>;
|
|
5116
5431
|
}
|
|
5117
5432
|
namespace ProteinEntity {
|
|
5433
|
+
/**
|
|
5434
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
5435
|
+
* are not accepted.
|
|
5436
|
+
*/
|
|
5118
5437
|
interface Modification {
|
|
5119
5438
|
/**
|
|
5120
5439
|
* 0-based index of the residue to modify
|
|
5121
5440
|
*/
|
|
5122
5441
|
residue_index: number;
|
|
5442
|
+
/**
|
|
5443
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
5444
|
+
*/
|
|
5123
5445
|
type: 'ccd';
|
|
5124
5446
|
/**
|
|
5125
5447
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -5143,16 +5465,24 @@ export declare namespace DesignStartParams {
|
|
|
5143
5465
|
*/
|
|
5144
5466
|
cyclic?: boolean;
|
|
5145
5467
|
/**
|
|
5146
|
-
*
|
|
5468
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
5469
|
+
* SMILES modifications are not supported.
|
|
5147
5470
|
*/
|
|
5148
5471
|
modifications?: Array<RnaEntity.Modification>;
|
|
5149
5472
|
}
|
|
5150
5473
|
namespace RnaEntity {
|
|
5474
|
+
/**
|
|
5475
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
5476
|
+
* are not accepted.
|
|
5477
|
+
*/
|
|
5151
5478
|
interface Modification {
|
|
5152
5479
|
/**
|
|
5153
5480
|
* 0-based index of the residue to modify
|
|
5154
5481
|
*/
|
|
5155
5482
|
residue_index: number;
|
|
5483
|
+
/**
|
|
5484
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
5485
|
+
*/
|
|
5156
5486
|
type: 'ccd';
|
|
5157
5487
|
/**
|
|
5158
5488
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|
|
@@ -5176,16 +5506,24 @@ export declare namespace DesignStartParams {
|
|
|
5176
5506
|
*/
|
|
5177
5507
|
cyclic?: boolean;
|
|
5178
5508
|
/**
|
|
5179
|
-
*
|
|
5509
|
+
* CCD chemical modifications. Optional; defaults to an empty list when omitted.
|
|
5510
|
+
* SMILES modifications are not supported.
|
|
5180
5511
|
*/
|
|
5181
5512
|
modifications?: Array<DnaEntity.Modification>;
|
|
5182
5513
|
}
|
|
5183
5514
|
namespace DnaEntity {
|
|
5515
|
+
/**
|
|
5516
|
+
* Polymer residue modification. Only CCD codes are supported; SMILES modifications
|
|
5517
|
+
* are not accepted.
|
|
5518
|
+
*/
|
|
5184
5519
|
interface Modification {
|
|
5185
5520
|
/**
|
|
5186
5521
|
* 0-based index of the residue to modify
|
|
5187
5522
|
*/
|
|
5188
5523
|
residue_index: number;
|
|
5524
|
+
/**
|
|
5525
|
+
* Modification format. Only CCD polymer modifications are supported.
|
|
5526
|
+
*/
|
|
5189
5527
|
type: 'ccd';
|
|
5190
5528
|
/**
|
|
5191
5529
|
* CCD code from RCSB PDB (e.g. 'MSE' for selenomethionine, 'SEP' for
|