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
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class
pdbx.reader.
PdbxReader
(input_file)[source]¶ PDBx reader for data files and dictionaries.
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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.
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writer
¶
Classes for writing data and dictionary containers in PDBx/mmCIF format.
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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.
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set_row_partition
(num_rows)[source]¶ Maximum number of rows checked for value length and format.
Parameters: num_rows (int) – maximum number of rows
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write
(container_list)[source]¶ Write out a list of containers.
Parameters: container_list (list) – list of ContainerBase
objects to write.
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write_container
(container)[source]¶ Write out information for an individual container.
Parameters: container ( ContainerBase
) – container to write
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