diff --git a/src/cli/cifschema/util/cif-dic.ts b/src/cli/cifschema/util/cif-dic.ts
index b9ef007414f31d1c9b6989b6ca0344a531f93167..3066da8257b9593c5fe736817169dcf393a507c1 100644
--- a/src/cli/cifschema/util/cif-dic.ts
+++ b/src/cli/cifschema/util/cif-dic.ts
@@ -84,6 +84,7 @@ export function getFieldType(type: string, description: string, values?: string[
case 'DateTime':
case 'Tag':
case 'Implied':
+ case 'Word':
return wrapContainer('str', ',', description, container);
case 'Real':
return wrapContainer('float', ',', description, container);
diff --git a/src/extensions/rcsb/graphql/types.ts b/src/extensions/rcsb/graphql/types.ts
index 0a01028acc812d9f728bbc47b8c5b923cf3e51e6..a3900a14f090d8cf315314c3edc197f092a83431 100644
--- a/src/extensions/rcsb/graphql/types.ts
+++ b/src/extensions/rcsb/graphql/types.ts
@@ -1,9 +1,10 @@
/* eslint-disable */
export type Maybe<T> = T | null;
+export type InputMaybe<T> = Maybe<T>;
export type Exact<T extends { [key: string]: unknown }> = { [K in keyof T]: T[K] };
export type MakeOptional<T, K extends keyof T> = Omit<T, K> & { [SubKey in K]?: Maybe<T[SubKey]> };
export type MakeMaybe<T, K extends keyof T> = Omit<T, K> & { [SubKey in K]: Maybe<T[SubKey]> };
-// Generated on 2021-09-12T13:31:40-07:00
+// Generated on 2021-11-25T14:34:23-08:00
/** All built-in and custom scalars, mapped to their actual values */
export type Scalars = {
@@ -6769,7 +6770,7 @@ export type Query = {
/** Query root */
export type QueryAssembliesArgs = {
- assembly_ids: ReadonlyArray<Maybe<Scalars['String']>>;
+ assembly_ids: ReadonlyArray<InputMaybe<Scalars['String']>>;
};
@@ -6802,7 +6803,7 @@ export type QueryBranched_Entity_InstanceArgs = {
/** Query root */
export type QueryBranched_Entity_InstancesArgs = {
- instance_ids: ReadonlyArray<Maybe<Scalars['String']>>;
+ instance_ids: ReadonlyArray<InputMaybe<Scalars['String']>>;
};
@@ -6814,7 +6815,7 @@ export type QueryChem_CompArgs = {
/** Query root */
export type QueryChem_CompsArgs = {
- comp_ids: ReadonlyArray<Maybe<Scalars['String']>>;
+ comp_ids: ReadonlyArray<InputMaybe<Scalars['String']>>;
};
@@ -6852,7 +6853,7 @@ export type QueryNonpolymer_Entity_InstanceArgs = {
/** Query root */
export type QueryNonpolymer_Entity_InstancesArgs = {
- instance_ids: ReadonlyArray<Maybe<Scalars['String']>>;
+ instance_ids: ReadonlyArray<InputMaybe<Scalars['String']>>;
};
@@ -6878,7 +6879,7 @@ export type QueryPolymer_Entity_InstanceArgs = {
/** Query root */
export type QueryPolymer_Entity_InstancesArgs = {
- instance_ids: ReadonlyArray<Maybe<Scalars['String']>>;
+ instance_ids: ReadonlyArray<InputMaybe<Scalars['String']>>;
};
@@ -13144,4 +13145,4 @@ export type AssemblySymmetryQueryVariables = Exact<{
}>;
-export type AssemblySymmetryQuery = { readonly assembly?: Maybe<{ readonly rcsb_struct_symmetry?: Maybe<ReadonlyArray<Maybe<{ readonly kind: string, readonly oligomeric_state: string, readonly stoichiometry: ReadonlyArray<Maybe<string>>, readonly symbol: string, readonly type: string, readonly clusters: ReadonlyArray<Maybe<{ readonly avg_rmsd?: Maybe<number>, readonly members: ReadonlyArray<Maybe<{ readonly asym_id: string, readonly pdbx_struct_oper_list_ids?: Maybe<ReadonlyArray<Maybe<string>>> }>> }>>, readonly rotation_axes?: Maybe<ReadonlyArray<Maybe<{ readonly order?: Maybe<number>, readonly start: ReadonlyArray<Maybe<number>>, readonly end: ReadonlyArray<Maybe<number>> }>>> }>>> }> };
+export type AssemblySymmetryQuery = { readonly assembly?: { readonly rcsb_struct_symmetry?: ReadonlyArray<{ readonly kind: string, readonly oligomeric_state: string, readonly stoichiometry: ReadonlyArray<string | null | undefined>, readonly symbol: string, readonly type: string, readonly clusters: ReadonlyArray<{ readonly avg_rmsd?: number | null | undefined, readonly members: ReadonlyArray<{ readonly asym_id: string, readonly pdbx_struct_oper_list_ids?: ReadonlyArray<string | null | undefined> | null | undefined } | null | undefined> } | null | undefined>, readonly rotation_axes?: ReadonlyArray<{ readonly order?: number | null | undefined, readonly start: ReadonlyArray<number | null | undefined>, readonly end: ReadonlyArray<number | null | undefined> } | null | undefined> | null | undefined } | null | undefined> | null | undefined } | null | undefined };
diff --git a/src/mol-io/reader/cif/schema/bird.ts b/src/mol-io/reader/cif/schema/bird.ts
index 1230641a17933d61f6d1d42f4620c5ed89f9d2c5..503615a2b212323746886219ba02e050072736d3 100644
--- a/src/mol-io/reader/cif/schema/bird.ts
+++ b/src/mol-io/reader/cif/schema/bird.ts
@@ -1,7 +1,7 @@
/**
* Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
- * Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.350, IHM 1.17, CARB draft.
+ * Code-generated 'BIRD' schema file. Dictionary versions: mmCIF 5.352, IHM 1.17, CARB draft.
*
* @author molstar/ciftools package
*/
@@ -487,7 +487,7 @@ export const BIRD_Schema = {
/**
* An identifier for the wwPDB site creating or modifying the molecule.
*/
- processing_site: Aliased<'RCSB' | 'PDBe' | 'PDBJ' | 'BMRB' | 'PDBC'>(str),
+ processing_site: Aliased<'RCSB' | 'PDBE' | 'PDBJ' | 'BMRB' | 'PDBC'>(str),
/**
* The action associated with this audit record.
*/
diff --git a/src/mol-io/reader/cif/schema/ccd.ts b/src/mol-io/reader/cif/schema/ccd.ts
index f3fed96749df68e3aa565a345c8965ed4dfac7ae..a8922d028bb94bacc1c849f4c7ff76e358c11372 100644
--- a/src/mol-io/reader/cif/schema/ccd.ts
+++ b/src/mol-io/reader/cif/schema/ccd.ts
@@ -1,7 +1,7 @@
/**
* Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
- * Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.350, IHM 1.17, CARB draft.
+ * Code-generated 'CCD' schema file. Dictionary versions: mmCIF 5.352, IHM 1.17, CARB draft.
*
* @author molstar/ciftools package
*/
diff --git a/src/mol-io/reader/cif/schema/cif-core.ts b/src/mol-io/reader/cif/schema/cif-core.ts
index 63ec3b3fcb1e70cbe1625e4e69a6d979ba4672bf..52a2ab5e30b9e5cbeed771859c9e9f9a4547323c 100644
--- a/src/mol-io/reader/cif/schema/cif-core.ts
+++ b/src/mol-io/reader/cif/schema/cif-core.ts
@@ -114,7 +114,7 @@ export const CifCore_Schema = {
* Abstracts. This ordering is used in _chemical_formula.moiety
* and _chemical_formula.sum.
*
- * _chemical_formula.iupac '[Mo (C O)4 (C18 H33 P)2]'
+ * _chemical_formula.IUPAC '[Mo (C O)4 (C18 H33 P)2]'
* _chemical_formula.moiety 'C40 H66 Mo O4 P2'
* _chemical_formula.structural '((C O)4 (P (C6 H11)3)2)Mo'
* _chemical_formula.sum 'C40 H66 Mo O4 P2'
@@ -146,7 +146,7 @@ export const CifCore_Schema = {
sum: str,
/**
* Mass corresponding to the formulae _chemical_formula.structural,
- * *_iupac, *_moiety or *_sum and, together with the Z value and cell
+ * *_IUPAC, *_moiety or *_sum and, together with the Z value and cell
* parameters yield the density given as _exptl_crystal.density_diffrn.
*/
weight: float,
@@ -478,7 +478,7 @@ export const CifCore_Schema = {
* A concatenated series of single-letter codes which indicate the
* refinement restraints or constraints applied to this site. This
* item should not be used. It has been replaced by
- * _atom_site.refinement_flags_posn, _adp and _occupancy. It is
+ * _atom_site.refinement_flags_posn, _ADP and _occupancy. It is
* retained in this dictionary only to provide compatibility with
* legacy CIFs.
*/
@@ -505,9 +505,9 @@ export const CifCore_Schema = {
* atomic displacement parameter, U(equiv), in angstroms squared,
* calculated from anisotropic atomic displacement parameters.
*
- * U(equiv) = (1/3) sum~i~[sum~j~(U^ij^ a*~i~ a*~j~ a~i~ a~j~)]
+ * U(equiv) = (1/3) sum~i~[sum~j~(U^ij^ a*~i~ a*~j~ a~i~.a~j~)]
*
- * a = the real-space cell lengths
+ * a = the real-space cell vectors
* a* = the reciprocal-space cell lengths
* Ref: Fischer, R. X. & Tillmanns, E. (1988). Acta Cryst. C44, 775-776.
*/
@@ -683,12 +683,21 @@ export const CifCore_Aliases = {
'geom_bond.distance': [
'geom_bond_dist',
],
+ 'audit.block_doi': [
+ 'audit_block_DOI',
+ ],
'database_code.cod': [
'database_code_COD',
],
'database_code.csd': [
'database_code_CSD',
],
+ 'database_code.depnum_ccdc_archive': [
+ 'database_code_depnum_CCDC_archive',
+ ],
+ 'database_code.depnum_ccdc_fiz': [
+ 'database_code_depnum_CCDC_fiz',
+ ],
'database_code.icsd': [
'database_code_ICSD',
],
@@ -699,6 +708,7 @@ export const CifCore_Aliases = {
'database_code_NBS',
],
'atom_site.adp_type': [
+ 'atom_site_ADP_type',
'atom_site_thermal_displace_type',
],
'atom_site.label': [
diff --git a/src/mol-io/reader/cif/schema/mmcif.ts b/src/mol-io/reader/cif/schema/mmcif.ts
index e010e523612601406260706d5dac57e5f9b53d4c..0a0455bf5c945e04a5b61f239dbb0a086d3f0c13 100644
--- a/src/mol-io/reader/cif/schema/mmcif.ts
+++ b/src/mol-io/reader/cif/schema/mmcif.ts
@@ -1,7 +1,7 @@
/**
* Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
- * Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.350, IHM 1.17, CARB draft.
+ * Code-generated 'mmCIF' schema file. Dictionary versions: mmCIF 5.352, IHM 1.17, CARB draft.
*
* @author molstar/ciftools package
*/