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
________________________________________________________________________________
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distributions
Hashes for mmcif-0.74-pp37-pypy37_pp73-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 4e069f3b78975095af6952b92596ccf60eee7613381033064da2bb450ac28225 |
|
MD5 | a2a1ff20ffd43e313ec3d5cbe0ab590c |
|
BLAKE2b-256 | 387636f658d1c06ae72a43e62867cda5afd1c1d368618e151c82405f12429420 |
Hashes for mmcif-0.74-pp37-pypy37_pp73-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 0279dea42bea4ebf7dd79dc2d38740e8e3ea6654be9933c8fb0748069480ef48 |
|
MD5 | 0395ceafe54a3c3036927ec33c4c31af |
|
BLAKE2b-256 | 1e3db1312b64663692b3a3af3e7062376da54745cac8181e8339c0b5b8949f55 |
Hashes for mmcif-0.74-pp37-pypy37_pp73-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 009aae3b45f752069e89525723f28c036a2c9a2e3b6f2ac372d21f5b1b9007ac |
|
MD5 | f830421f0795412879eb70dae82768f9 |
|
BLAKE2b-256 | 9b4a532b80a6a293c2e9b9edb3059dac42193f4b59a77db21aad49ff4d2d0b80 |
Hashes for mmcif-0.74-cp310-cp310-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | b7ed712c38bb3081e5cfdeed514b200285c6ed92f0cf2f812bcbfb4bed887cc2 |
|
MD5 | 89c3f50dcf16557754e657c69092f920 |
|
BLAKE2b-256 | 1416a30b2ce167f89a3209bd06ca04297491ee737d23ddec4693b6ed2c09cd55 |
Hashes for mmcif-0.74-cp310-cp310-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 4ff9bc2a05613de80b7f4ec86e2c29fe5bca64484369b6c47e3902558adc8184 |
|
MD5 | a61de0134cca24272efe4c0adcf8d54e |
|
BLAKE2b-256 | f7bc90388d5283c7d08d8002dc71978e080da80018faa91ac128092080661535 |
Hashes for mmcif-0.74-cp310-cp310-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | ffb852908ca7776439788d4198e59e9504b7b0d15ae770166f03050ead05c250 |
|
MD5 | 2dc38a7badab28fd4a809d7f442fd8b3 |
|
BLAKE2b-256 | d192af3299369c877e1453d4002c46acc1bf2c9a7701449221c52ca637ecadbd |
Hashes for mmcif-0.74-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 5a5568ee0ffbe681b664b9f298db81d7000449022ebb60fe5ca9a582fe4a7602 |
|
MD5 | cc591a787d862abbece3578765761a04 |
|
BLAKE2b-256 | 273d06b03927eb1e1dfea0c6bc38d4505ba77308ddd58a48ca5b453de3f23c96 |
Hashes for mmcif-0.74-cp39-cp39-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 310389ffea88807605b3ef1a35567a78f6e658c84ac7060277dd0ae4dfa27737 |
|
MD5 | d336a3116124d470d75597ab494e95a5 |
|
BLAKE2b-256 | ace85dadc9f46a72c8f88f7bfa5f8bb13d122a162f4abc3a11dd48f0976f8646 |
Hashes for mmcif-0.74-cp39-cp39-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 9d0243cc9157af6943c568ebcb6dcb2b1ee2c1548cb65fc536a9bd11fe0c20f2 |
|
MD5 | 56318c32da5338f2a5852d3691c72e12 |
|
BLAKE2b-256 | 432d73213f69f7ad95b387245d55ab270a26e713e99c5324b53ff5bec9ac4a1f |
Hashes for mmcif-0.74-cp38-cp38-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | a0e39e9e47975d48c7efed202621820a729c27b296db931bc8bf805489218490 |
|
MD5 | fb27c425ecde045d72349adcf2a3811a |
|
BLAKE2b-256 | ddc89a53dc8e6b4b1ed4bade58f1bbb93d5023d1a015c51343ab0fd2eac6348a |
Hashes for mmcif-0.74-cp38-cp38-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | b6840ce0ff593470e2ce23effbb68c4c42c3f0fbdb88021a4cd8cab3f267ab26 |
|
MD5 | 595502e9767859e0680251417ffaa007 |
|
BLAKE2b-256 | e6e849b7b0efce12dba7e919b1278e138df79047dc37d5f8ea7a656a6093501c |
Hashes for mmcif-0.74-cp38-cp38-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 659135c0816da93489b577da81f617780685414b1a8d9b6989af8c96098933b6 |
|
MD5 | 869d59159fd5dc64378a1f67d322939b |
|
BLAKE2b-256 | 27c1efdd82742777659df6c66a219632b947908c71cad0fcb36370da370f0079 |
Hashes for mmcif-0.74-cp37-cp37m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | fa3a775aec980e7724401366b2f6f38417c274468d86d13a96bb5be276339617 |
|
MD5 | e3d450bb2e37d75318b2705fb42dffb7 |
|
BLAKE2b-256 | 0ad95ea014aac0b56d433f46b0dc7c4c0987b9d9a554e524369a55035dd9b00f |
Hashes for mmcif-0.74-cp37-cp37m-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | e887901b991273f415eab77119bba52d4afcfa25030bbe37a31ba4d0c47ab397 |
|
MD5 | 00187ad3fea5a569f9dabc6990bfcec6 |
|
BLAKE2b-256 | 2516ab64ece20475e8a866ea3c75579ad20cf1faaf210b2602e55fb004a9ee41 |
Hashes for mmcif-0.74-cp37-cp37m-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | a704982269b49c55b33d3d0136846e4814c045c38df0ed0096bb30eb768bb760 |
|
MD5 | 854da3ec84175404254d432a14599f7b |
|
BLAKE2b-256 | 2c20fcef66297c583df92a3576d4459272953fb4aedeaca280c926559adc4323 |
Hashes for mmcif-0.74-cp36-cp36m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 444c7d9b6dff92ef6dd6784820d5e0125f8c2dc91f43123f42de04f803f18f6d |
|
MD5 | 92b756306876d441504ce75df5ff0601 |
|
BLAKE2b-256 | 49351070d0c52cb33dd1af7f97f88fbf067527ebecc84a3c033f7941427e6891 |
Hashes for mmcif-0.74-cp36-cp36m-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | cc66ca5d46a1927beb729d398790058720eb236e935593f2f26524e09faeeaa7 |
|
MD5 | 32e332ef989e9bd70073a94417b13565 |
|
BLAKE2b-256 | 0efae6097e82bd72e326609929d788c70e1cdb23c6ff0fcfd5f35a90db122770 |
Hashes for mmcif-0.74-cp36-cp36m-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 561b67bd3bde1a50697338b678ddb38a85f844f0ebb983ff8ac40106c43b91f1 |
|
MD5 | ae6a3bbf6f845612a29d2bcf7cdd9ea8 |
|
BLAKE2b-256 | 23c571df5051698494218eef100efaf1d34646298f143c43cfb709f87285b522 |