Header

class biotite.structure.io.mol.Header(mol_name: str = '', initials: str = '', program: str = '', time: datetime | date | None = None, dimensions: str = '', scaling_factors: str = '', energy: str = '', registry_number: str = '', comments: str = '')

Bases: object

The header for connection tables.

Parameters:

mol_namestr, optional

The name of the molecule.

initialsstr, optional

The author’s initials. Maximum length is 2.

programstr, optional

The program name. Maximum length is 8.

timedatetime or date, optional

The time of file creation.

dimensionsstr, optional

Dimensional codes. Maximum length is 2.

scaling_factorsstr, optional

Scaling factors. Maximum length is 12.

energystr, optional

Energy from modeling program. Maximum length is 12.

registry_numberstr, optional

MDL registry number. Maximum length is 6.

commentsstr, optional

Additional comments.

Attributes:

mol_name, initials, program, time, dimensions, scaling_factors, energy, registry_number, comments

Same as the parameters.

static deserialize(text: str) → Header

serialize() → str