mmcif¶
This mmcif package contains all the classes necessary to read and write either a data or a dictionary mmCIF file.
Reading files can be acheived using either CifFileReader or MMCIF2Dict:
mmcif.mmcif¶
The module contains all the objects necessary to represent either a data CIF file or a dictionary CIF file.
mmCIF data files¶
DATA mmCIF files are represented one of 3 ways (interchangeable):
As a series of objects that encapsulate each major component of mmCIF
CifFile -> DataBlock -> [ SaveFrame -> ] Category -> Item
As a python wrapper to a dictionary. Categories and items are accessed through the familiar python dot (.) notation.
As a dictionary of the form
{
DATABLOCK_ID: { CATEGORY: { ITEM: VALUE } }
}
mmCIF dictionaries¶
DICTIONARY mmCIF files can ONLY be represented as (1) above i.e.:
As a series of objects that encapsulate each major component of mmCIF
CifFile -> DataBlock -> [ SaveFrame -> ] Category -> Item
Due to the presence of SaveFrame objects they are not interchangeable as the conversion to dictionary type objects has not yet been implemented.