openprotein.chains.Ligand#
- class openprotein.chains.Ligand(*, chain_id=None, ccd=None, smiles=None)[source]#
Represents a ligand with optional Chemical Component Dictionary (CCD) identifier and SMILES string.
Requires either a CCD identifier or SMILES string.
- Parameters:
chain_id (str | list[str] | None)
ccd (str | None)
smiles (str | None)
- ccd#
The CCD identifier for the ligand.
- Type:
str | None
- smiles#
The SMILES representation of the ligand.
- Type:
str | None
- __init__(*, chain_id=None, ccd=None, smiles=None)[source]#
- Parameters:
chain_id (str | list[str] | None)
ccd (str | None)
smiles (str | None)
Methods
__init__(*[, chain_id, ccd, smiles])Attributes