Class: Ligand

Information on ligands if present.

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

erDiagram Ligand { boolean present string smiles string reference }

Slots

Name	Cardinality and Range	Description	Inheritance
present	0..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
SampleMolecular	ligands	range	Ligand

Identifier and Mapping Information

Schema Source

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

Mappings

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

LinkML Source

Direct

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

Induced

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