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Class: Ligand

Information on ligands if present.

URI: https://w3id.org/osc-em/oscem-schemas/:Ligand

classDiagram class Ligand click Ligand href "../Ligand" Ligand : present Ligand : reference Ligand : smiles

Slots

Name Cardinality and Range Description Inheritance
present 1
Boolean		 Whether the model contains any ligands direct
smiles 0..1
String		 Provide a valid SMILES string of your ligand direct
reference 0..1
String		 Link to a reference of your ligand, i direct

Usages

used by used in type used
Sample ligands range Ligand

Identifier and Mapping Information

Schema Source

  • from schema: https://w3id.org/osc-em/oscem-schemas

Mappings

Mapping Type Mapped Value
self https://w3id.org/osc-em/oscem-schemas/:Ligand
native https://w3id.org/osc-em/oscem-schemas/:Ligand

LinkML Source

Direct

name: Ligand
description: Information on ligands if present.
from_schema: https://w3id.org/osc-em/oscem-schemas
slots:
- present
- smiles
- reference
slot_usage:
  present:
    name: present
    required: true

Induced

name: Ligand
description: Information on ligands if present.
from_schema: https://w3id.org/osc-em/oscem-schemas
slot_usage:
  present:
    name: present
    required: true
attributes:
  present:
    name: present
    description: Whether the model contains any ligands
    from_schema: https://w3id.org/osc-em/oscem-schemas
    rank: 1000
    alias: present
    owner: Ligand
    domain_of:
    - Ligand
    range: boolean
    required: true
  smiles:
    name: smiles
    description: Provide a valid SMILES string of your ligand
    from_schema: https://w3id.org/osc-em/oscem-schemas
    rank: 1000
    alias: smiles
    owner: Ligand
    domain_of:
    - Ligand
    range: string
  reference:
    name: reference
    description: Link to a reference of your ligand, i.e., CCD, PubChem, etc.
    from_schema: https://w3id.org/osc-em/oscem-schemas
    rank: 1000
    alias: reference
    owner: Ligand
    domain_of:
    - Ligand
    range: string