mmcif


Namemmcif JSON
Version 0.91.0 PyPI version JSON
download
home_pagehttp://mmcif.wwpdb.org
SummarymmCIF Core Access Library
upload_time2025-01-08 19:39:46
maintainerNone
docs_urlNone
authorJohn Westbrook
requires_pythonNone
licenseApache 2.0
keywords
VCS
bugtrack_url
requirements No requirements were recorded.
Travis-CI No Travis.
coveralls test coverage No coveralls.
            # mmCIF Core Access Library

[![Build Status](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_apis/build/status/rcsb.py-mmcif?branchName=master)](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_build/latest?definitionId=16&branchName=master)

## Introduction

This module includes a native Python mmCIF API for data files and dictionaries along with
[pybind11](https://github.com/pybind/pybind11) wrappers for the PDB C++ Core mmCIF Library.

### Installation

Download the library source software from the project repository:

```bash

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.

```bash
tox
```

Installation is via the program [pip](https://pypi.python.org/pypi/pip).

```bash
pip install mmcif

or from the local repository:

pip install .
```

To generate API documentation using [Sphinx](http://www.sphinx-doc.org/):

```bash
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.

```bash

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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    "description": "# mmCIF Core Access Library\n\n[![Build Status](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_apis/build/status/rcsb.py-mmcif?branchName=master)](https://dev.azure.com/rcsb/RCSB%20PDB%20Python%20Projects/_build/latest?definitionId=16&branchName=master)\n\n## Introduction\n\nThis module includes a native Python mmCIF API for data files and dictionaries along with\n[pybind11](https://github.com/pybind/pybind11) wrappers for the PDB C++ Core mmCIF Library.\n\n### Installation\n\nDownload the library source software from the project repository:\n\n```bash\n\ngit clone  --recurse-submodules  https://github.com/rcsb/py-mmcif.git\n\n```\n\nOptionally, run test suite using the Tox test runner. The C++ library bindings have been tested\non Centos 7/Ubuntu 20.04 Linux with GCC/G++ > 4.8.5 and MacOS (10.15) with > clang-900.0.39.2 using\nPython versions 2.7.18 and 3.9.4.\n\n```bash\ntox\n```\n\nInstallation is via the program [pip](https://pypi.python.org/pypi/pip).\n\n```bash\npip install mmcif\n\nor from the local repository:\n\npip install .\n```\n\nTo generate API documentation using [Sphinx](http://www.sphinx-doc.org/):\n\n```bash\ncd scripts\n# Check Sphinx dependencies in the introductory comments to the following script.\n./initdocs.sh\n\n```\n\nA command-line script is provided as a preprocessor for modular dictionaries that\ninclude definition and data content using categories pdbx_include_dictionary,\npdbx_include_category and pdbx_include_item.\n\n```bash\n\nbuild_dict_cli --help\nusage: build_dict_cli [-h] --op OP --input_dict_path INPUT_DICT_PATH [--output_dict_path OUTPUT_DICT_PATH] [--cleanup]\n\noptional arguments:\n  -h, --help            show this help message and exit\n  --op OP               Operation (build | get_version)\n  --input_dict_path INPUT_DICT_PATH\n                        Path to dictionary generator file\n  --output_dict_path OUTPUT_DICT_PATH\n                        Path to output dictionary text file\n  --cleanup             Remove include instruction categories after processing\n________________________________________________________________________________\n```\n",
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