mmCIF Core Access Library
Project description
mmCIF Core Access Library
Introduction
This module includes a native Python mmCIF API for data files and dictionaries along with pybind11 wrappers for the PDB C++ Core mmCIF Library.
Installation
Download the library source software from the project repository:
git clone --recurse-submodules https://github.com/rcsb/py-mmcif.git
Optionally, run test suite using the Tox test runner. The C++ library bindings have been tested on Centos 7/Ubuntu 20.04 Linux with GCC/G++ > 4.8.5 and MacOS (10.15) with > clang-900.0.39.2 using Python versions 2.7.18 and 3.9.4.
tox
Installation is via the program pip.
pip install mmcif
or from the local repository:
pip install .
To generate API documentation using Sphinx:
cd scripts
# Check Sphinx dependencies in the introductory comments to the following script.
./initdocs.sh
A command-line script is provided as a preprocessor for modular dictionaries that include definition and data content using categories pdbx_include_dictionary, pdbx_include_category and pdbx_include_item.
build_dict_cli --help
usage: build_dict_cli [-h] --op OP --input_dict_path INPUT_DICT_PATH [--output_dict_path OUTPUT_DICT_PATH] [--cleanup]
optional arguments:
-h, --help show this help message and exit
--op OP Operation (build | get_version)
--input_dict_path INPUT_DICT_PATH
Path to dictionary generator file
--output_dict_path OUTPUT_DICT_PATH
Path to output dictionary text file
--cleanup Remove include instruction categories after processing
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