Python package to detect and characterize cavities in biomolecular structures
Project description
A Python package for detecting and characterizing biomolecular cavities.
See also:
Installation
To install the latest release on PyPI, run:
pip install pyKVFinder
Or to install the latest developmental version, run:
git clone https://github.com/LBC-LNBio/pyKVFinder.git pip install pyKVFinder
Citation
If you use pyKVFinder package, please cite:
Guerra, J. V. S., Ribeiro-Filho, H. V., Jara, G. E., Bortot, L. O., Pereira, J. G. C., & Lopes-de-Oliveira, P. S. (2021). pyKVFinder: an efficient and integrable Python package for biomolecular cavity detection and characterization in data science. BMC bioinformatics, 22(1), 607. https://doi.org/10.1186/s12859-021-04519-4.
If you use pyKVFinder.Molecule, please also cite:
Guerra, J. V. S., Alves, L. F. G., Bourissou, D., Lopes-de-Oliveira, P. S., & Szalóki, G. (2023). Cavity Characterization in Supramolecular Cages. Journal of chemical information and modeling, 63(12), 3772-3785. https://doi.org/10.1021/acs.jcim.3c00328.
License
The software is licensed under the terms of the GNU General Public License version 3 (GPL3) and is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
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 pyKVFinder-0.6.4-cp311-cp311-musllinux_1_1_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 856570b6fe4b5b61b885dce601a80e44f68b4ea6d6f02cd4b23a22d97115b885 |
|
MD5 | 7ea8d9e2203396d114406025b3fa400d |
|
BLAKE2b-256 | 7a21f81674bf91c67cd6adc7337d030a82f2c13b7220bf202bb14d7d48b67e11 |
Hashes for pyKVFinder-0.6.4-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | c99d6e57407401cee6e1a777170b1eac0e4fe8cd45b28d7f6a89c5219cd8e3c9 |
|
MD5 | 873418e83200108930114bf1d6666c47 |
|
BLAKE2b-256 | 99b57abb3a983dea8b6d25c13083a264d793108b45573bc28e597ace3258a0cb |
Hashes for pyKVFinder-0.6.4-cp311-cp311-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | df788f361da0e86cabb0622809db7d2d2caf858657c9b782fb945bbd6f317c3c |
|
MD5 | 41314578eb4839a345398b3e4b6747ce |
|
BLAKE2b-256 | 0121b3386f786db4b277c50bea018859889c3238d807b0096350d34180392b93 |
Hashes for pyKVFinder-0.6.4-cp310-cp310-musllinux_1_1_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 138ee6badddad5c2e47af2ec9d9f22dffae6050688c022a977e0f6bdf219d2c3 |
|
MD5 | 03aef71883717998e25e61998b4622d8 |
|
BLAKE2b-256 | 17b20fa7eef6418c9286cc3107ed104ba00260098b60f1b95dc52588617d31e0 |
Hashes for pyKVFinder-0.6.4-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 8e937b0f26bbfd06fac49a9b077df5d53db3e5e64181c08543978a1b703236c7 |
|
MD5 | cfc159e85e0c9ec54360a97382ad09d9 |
|
BLAKE2b-256 | 67ea83dbefee2e57edff5d07e706c41d853ed655c715f4b593912eda405fcf9c |
Hashes for pyKVFinder-0.6.4-cp310-cp310-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 4e62cd8a3ed85592fd80d10e9d81dbc5ebcb4a98af6df724cb6d863e682033a5 |
|
MD5 | b5bb323eeabbbdf4ad731b0d23b6db58 |
|
BLAKE2b-256 | 0052cdf7dcefe96bd1c4efe9d6b988926d487fb624e0f157178cfe78d8ffb26f |
Hashes for pyKVFinder-0.6.4-cp39-cp39-musllinux_1_1_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 44ef3ead4a8b8f0c895bddc880eb2e122e0334da66b99ae70e2cefae8331ae62 |
|
MD5 | 1aaaae0bdb24bde5fb7c02ffe2835038 |
|
BLAKE2b-256 | 00faeed2397bddd44ca80042b9d64c175456a1614812103af81b35d679fbd94e |
Hashes for pyKVFinder-0.6.4-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 05579dae861d3bcc0c65d89a90002aebb9d71be80b63f5a173960c749d4a2cf0 |
|
MD5 | 04fca23cfecd84880bf962026d8b742a |
|
BLAKE2b-256 | 9016bbf3d8e65c0994bdddb1fbc16921e5ec2aadc3841386ed5539f977351ee8 |
Hashes for pyKVFinder-0.6.4-cp39-cp39-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 79bebceb6ad1151e015949129a907907e44a0e68f70c3f99c59563a3e433260c |
|
MD5 | 1bbdb351e5e1c80ad0d88fbf2ae0f4cd |
|
BLAKE2b-256 | 05ff1541240f396dc7e40fe68ae565c86bdb7c76aa8717f2dda0977a3e7c2848 |