Header
#
- class biotite.structure.io.mol.Header(mol_name: ... = '', initials: ... = '', program: ... = '', time: ... = None, dimensions: ... = '', scaling_factors: ... = '', energy: ... = '', registry_number: ... = '', comments: ... = '')[source]#
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)#
- serialize()#