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-0.78-pp37-pypy37_pp73-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | fe1f7e312d396eb1a437b3f6d7dec93b6faba2d444aa9df37caa77307b4d1af1 |
|
MD5 | a56090898c3cb2791b4e15dfe4d2994b |
|
BLAKE2b-256 | 13d8a433102e32631a8d3b2ee21c1289a337070d00821becbcdd20a717ffe9d4 |
Hashes for mmcif-0.78-pp37-pypy37_pp73-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 3fadc0266eb42829207ec5673a2eb412f758ba509f81781b525cbbd6803e3926 |
|
MD5 | e43c481c203c6ff343a9909abd76e5f9 |
|
BLAKE2b-256 | 7313c9ac06d8551946f7d07e3a0c2235492074dc745a8373a7657a121eadbe24 |
Hashes for mmcif-0.78-cp310-cp310-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | b726f88dd840e4a90312e3a6d73fe548597dca10071258a1c3da9e23cbb70903 |
|
MD5 | f7d44451c3c9ccdfc098908d8eef20df |
|
BLAKE2b-256 | b48f525459c7db8fdc10d5c22655ea97a718ff9da02b94da8ca6ec542298fd62 |
Hashes for mmcif-0.78-cp310-cp310-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | c4f39b4928bc0264a9efeaca8974351e427086a4d29153e9fd39456cc7d77cfe |
|
MD5 | 9edd7ea0249613e5099cb3cf6a33240a |
|
BLAKE2b-256 | bbca4fd3d8ee333af38fd7ff2738367451c93a733767c417e6329a79d29df188 |
Hashes for mmcif-0.78-cp310-cp310-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 03815a75bc533f3923401ef9358137e91a56d299d2ec4ff6675eddbb2b956da3 |
|
MD5 | 2ecb663ff4f64038cc7b9b13c8b96533 |
|
BLAKE2b-256 | 6fe5d96b177460f44b14bd795e51ef71baf4e6c9d780d7328654cceb1db1e99b |
Hashes for mmcif-0.78-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 58b28c359525ebb8a8aca947e94d2071710e96845671024d95e89e2545f4ba1c |
|
MD5 | a27732f3069a80848cac98babe9d4535 |
|
BLAKE2b-256 | a169d5e964094bfbb1465855ef07360e10810fc5d5bd992bfc21a230cc1d68cc |
Hashes for mmcif-0.78-cp39-cp39-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 7859ef10d44194411f9441e9e7f707a3c4fdb486d329a0f1b7d0268e03f36204 |
|
MD5 | 878589cefa121352ef8a4d4356d3a95c |
|
BLAKE2b-256 | b99963a0a355483aef8e1770493f837b39d2e6b4aaa7f379ccdbd29dce46e465 |
Hashes for mmcif-0.78-cp39-cp39-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 0b2b2b37a6d77493177c6d10444aefb4f3e30f285255b3149dc88a53654b4b29 |
|
MD5 | 5d3018ebab5d935ea87464a6babec29d |
|
BLAKE2b-256 | fb4f4d7ef23c3cb38b11afcb15e01c01a67a3b91774e91eac71da2d5dacffb8e |
Hashes for mmcif-0.78-cp38-cp38-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | ca07ef2a2201076b7a7c3f7be3685fc031c0f26f80ad43da603f478c24d83754 |
|
MD5 | a5feb951bd1e849e4ac35719a1939b6f |
|
BLAKE2b-256 | 8157761b65a1a08fd2a7ec61f9eb6492a6e51f8768100ec020a8a6c043f90db1 |
Hashes for mmcif-0.78-cp38-cp38-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 7837c2795a2128914e7170cec3d7685be24a5e3dd259d8769097c5a0c447a72b |
|
MD5 | 70540ea7acee9008533323a7c3a3ab8d |
|
BLAKE2b-256 | d75c6d6cb2e498e892c43e6da057160ebcfd2f718932afdf2b06ae763baf2e6b |
Hashes for mmcif-0.78-cp38-cp38-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | adb3b1ba8861a75c501bbc5a52a4527bdd842bd2a457bca5e4c35aac9ba6c4e0 |
|
MD5 | 38d043058dbaaba2f907b4fe24b6a524 |
|
BLAKE2b-256 | 978168389b5efee116e4fca79ba602ab8eefe859065ebd516c118d323dd12395 |
Hashes for mmcif-0.78-cp37-cp37m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | c6a775d2266e397c23f489ef2e0fe64510e8b743fd534ba09a744cbc67e6bf5c |
|
MD5 | a78187e1fab00c20c9205a22a2832e56 |
|
BLAKE2b-256 | cb34f0acdf17c786a1754bf94df70744333a3d1b45a490824f389aaee616e99f |
Hashes for mmcif-0.78-cp37-cp37m-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | e6e3a33ce33a9824df4568bea1dc5ff9e7a7f5d80d4fa165629198dcd490069c |
|
MD5 | d243c31b1458b06898b000c38e9f91af |
|
BLAKE2b-256 | d8658325b857d5ef0f34210f30b6f0b10fdcd62c522fb0223bb88442c4adc102 |
Hashes for mmcif-0.78-cp37-cp37m-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 04c52d0b7d695eb2c9c918e9b5fbc4b5c4326bfe0b09b0f37489003f3e3ef537 |
|
MD5 | 2486fceaa96fe19e9459ac2808958407 |
|
BLAKE2b-256 | b4b50d6e1f7eb5db7deb483577aee25c5d06e3f7099ad94f2a7a79168c10374f |
Hashes for mmcif-0.78-cp36-cp36m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 2110e31320c65859defdd26967cc2716442271a2dde421d1e42b99064f9169f0 |
|
MD5 | 16c66867696032f44585ccd6b267c1fe |
|
BLAKE2b-256 | 40c495b38edccf84a57b5fb1f3a2a7ea5be8b382eb6a1bfa7c5ffe8e5dc18a93 |
Hashes for mmcif-0.78-cp36-cp36m-manylinux_2_12_i686.manylinux2010_i686.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 5c0fd8237ef3bd47eaf6cdd1a5909ba3291929a01bb1ad24e0c27a5987680f34 |
|
MD5 | 7d5aebdab82421b0d1f87c318735ba48 |
|
BLAKE2b-256 | c646bc5073b683e2d652ab4008eecd6427ce57ef8869eda6c8368db2885d4868 |
Hashes for mmcif-0.78-cp36-cp36m-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | a5e37165dfe41d497381199a8875e076cd0be74e78a2b83dffca609bf4b76039 |
|
MD5 | 1bbbc7a03781372ccfe849f37e78b96d |
|
BLAKE2b-256 | c78fee66587b0c57c0c1560fb057ee17aaacd6052bae5852f2ebe6651fc5af97 |