Input-output classes
reader
PDBx/mmCIF dictionary and data file parser.
Note
Acknowledgements:
The tokenizer used in this module is modeled after the clever parser design used in the PyMMLIB package.
PyMMLib Development Group:
Authors: Ethan Merritt: merritt@u.washington.edu, Jay Painter: jay.painter@gmail.com
- class pdbx.reader.PdbxReader(input_file)[source]
PDBx reader for data files and dictionaries.
- read(container_list)[source]
Appends to the input list of definition and data containers.
- Parameters:
container_list (list) – list of
ContainerBase
containers to append to.
writer
Classes for writing data and dictionary containers in PDBx/mmCIF format.
- class pdbx.writer.PdbxWriter(output_file=<_io.TextIOWrapper name='<stdout>' mode='w' encoding='utf-8'>)[source]
Write PDBx data files or dictionaries. Use the input container or container list.
- set_row_partition(num_rows)[source]
Maximum number of rows checked for value length and format.
- Parameters:
num_rows (int) – maximum number of rows
- write(container_list)[source]
Write out a list of containers.
- Parameters:
container_list (list) – list of
ContainerBase
objects to write.
- write_container(container)[source]
Write out information for an individual container.
- Parameters:
container (
ContainerBase
) – container to write