diff --git a/src/mol-model-formats/structure/basic/schema.ts b/src/mol-model-formats/structure/basic/schema.ts index 167c2479097014de25e40d69c21a4fa87336ad73..7146943eee9edc3acb9039e4a4ec1a1f9ed7c775 100644 --- a/src/mol-model-formats/structure/basic/schema.ts +++ b/src/mol-model-formats/structure/basic/schema.ts @@ -24,9 +24,9 @@ export type ChemComp = Table<mmCIF_chemComp_schema> export type ChemCompIdentifier = Table<mmCIF_Schema['pdbx_chem_comp_identifier']> export type AtomSite = Table<mmCIF_Schema['atom_site']> export type IhmSphereObjSite = Table<mmCIF_Schema['ihm_sphere_obj_site']> -export type IhmGaussianObjSite =Table<mmCIF_Schema['ihm_gaussian_obj_site']> -export type UnobsOrZeroOccResidues =Table<mmCIF_Schema['pdbx_unobs_or_zero_occ_residues']> -export type Molecule =Table<mmCIF_Schema['pdbx_molecule']> +export type IhmGaussianObjSite = Table<mmCIF_Schema['ihm_gaussian_obj_site']> +export type UnobsOrZeroOccResidues = Table<mmCIF_Schema['pdbx_unobs_or_zero_occ_residues']> +export type Molecule = Table<mmCIF_Schema['pdbx_molecule']> export const BasicSchema = { entry: mmCIF_Schema.entry, diff --git a/src/mol-model/structure/model/properties/common.ts b/src/mol-model/structure/model/properties/common.ts index baa817931a780303c805f40d9804cfb80f92fac2..a721b8dbe31b759e339b7ebf05847a8967777638 100644 --- a/src/mol-model/structure/model/properties/common.ts +++ b/src/mol-model/structure/model/properties/common.ts @@ -1,5 +1,5 @@ /** - * Copyright (c) 2018-2019 mol* contributors, licensed under MIT, See LICENSE file for more info. + * Copyright (c) 2018-2021 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> * @author David Sehnal <david.sehnal@gmail.com> @@ -14,7 +14,8 @@ export type EntitySubtype = ( mmCIF_Schema['entity_poly']['type']['T'] | mmCIF_Schema['pdbx_entity_branch']['type']['T'] | 'ion' | - 'lipid' + 'lipid' | + 'peptide-like' ) export const EntitySubtype = Column.Schema.Aliased<EntitySubtype>(Column.Schema.Str('')); diff --git a/src/mol-model/structure/model/types.ts b/src/mol-model/structure/model/types.ts index e31d05bfb70c2ae9c597aee104a15f55aad44956..44a20977066bd2b36013961d2d33a44d804662b8 100644 --- a/src/mol-model/structure/model/types.ts +++ b/src/mol-model/structure/model/types.ts @@ -1,5 +1,5 @@ /** - * Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info. + * Copyright (c) 2017-2021 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> * @author David Sehnal <david.sehnal@gmail.com> @@ -192,7 +192,7 @@ export const ProteinTerminusComponentTypeNames = new Set([ 'L-PEPTIDE NH3 AMINO TERMINUS', 'L-PEPTIDE COOH CARBOXY TERMINUS' ]); -/** Chemical component type names for pepdite-like protein */ +/** Chemical component type names for peptide-like protein */ export const OtherProteinComponentTypeNames = new Set([ 'PEPTIDE LINKING', 'PEPTIDE-LIKE', ]); @@ -416,6 +416,8 @@ export function getEntitySubtype(compId: string, compType: string): EntitySubtyp return 'ion'; } else if (LipidComponentTypeNames.has(compType) || LipidNames.has(compId)) { return 'lipid'; + } else if (OtherProteinComponentTypeNames.has(compType)) { + return 'peptide-like'; } else { return 'other'; } diff --git a/src/mol-plugin-state/helpers/structure-selection-query.ts b/src/mol-plugin-state/helpers/structure-selection-query.ts index 1a63347f70276e221969927a25a94ed010e6caf4..a12ba01629b2a4fe186b2379d4f021ade5b02ca3 100644 --- a/src/mol-plugin-state/helpers/structure-selection-query.ts +++ b/src/mol-plugin-state/helpers/structure-selection-query.ts @@ -92,7 +92,7 @@ const polymer = StructureSelectionQuery('Polymer', MS.struct.modifier.union([ 'entity-test': MS.core.logic.and([ MS.core.rel.eq([MS.ammp('entityType'), 'polymer']), MS.core.str.match([ - MS.re('(polypeptide|cyclic-pseudo-peptide|nucleotide|peptide nucleic acid)', 'i'), + MS.re('(polypeptide|cyclic-pseudo-peptide|peptide-like|nucleotide|peptide nucleic acid)', 'i'), MS.ammp('entitySubtype') ]) ]) @@ -122,7 +122,7 @@ const trace = StructureSelectionQuery('Trace', MS.struct.modifier.union([ const _proteinEntityTest = MS.core.logic.and([ MS.core.rel.eq([MS.ammp('entityType'), 'polymer']), MS.core.str.match([ - MS.re('(polypeptide|cyclic-pseudo-peptide)', 'i'), + MS.re('(polypeptide|cyclic-pseudo-peptide|peptide-like)', 'i'), MS.ammp('entitySubtype') ]) ]);