LipidSpecies

Represent a lipid species with head, tail, and branch atom annotations.

Attributes

attributehead_atomslist[int]

= Field(default_factory=list, description='0-based indices of head group atoms.')

attributetail_atomslist[int]

= Field(default_factory=list, description='0-based indices of tail group atoms.')

attributebranch_atomslist[int]

= Field(default_factory=list, description='0-based indices of branch point atoms.')

attributerdkit_moleculeChem.rdchem.Mol

Return an RDKit molecule with lipid-specific 3D coordinate generation.

funcmodel_post_init(self, _) → None

Detect head, tail, and branch atoms from SMILES if not provided.

paramself

param_

Returns

None