Python package to detect and characterize cavities in biomolecular structures
Project description
pyKVFinder
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-0.6.13-cp312-cp312-win_amd64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | f30e13656b9f55f3afca6516d9f55c15b8cf6aa76d9f04c703217f4d4aff3b22 |
|
MD5 | 96db868830978b70ad4f10d14affb1ed |
|
BLAKE2b-256 | 5783d96acc156b1adb804ac55768853335dfb0a9abccaa58651508c7dcdfe604 |
Hashes for pyKVFinder-0.6.13-cp312-cp312-musllinux_1_1_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 2e131cc005355ea1e60aa0aee0ff5e7c1a0f6cab7ac187771ef25a9a2d559b02 |
|
MD5 | 9d6e0fbdf709676f903ac93ecfde513e |
|
BLAKE2b-256 | 9faada71a24371e22c59f4929f59365c86e55afdd0f1ff0129fb74d1f605dd10 |
Hashes for pyKVFinder-0.6.13-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | d99e26d241a0fbd428c042452001d5f3aa6ac344d088a53987fee0a49ad0d492 |
|
MD5 | a607cc5c141affdbd370b1b6debf7f83 |
|
BLAKE2b-256 | 6dc333f8d05517b17c2b721e0bf638f0dc328482a0f6a78a6f34673223619e0b |
Hashes for pyKVFinder-0.6.13-cp312-cp312-macosx_11_0_arm64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 3c35d27408cec65ac50e8ac539305e9f82ac3761cdfb7c3e8b9d16620b40e2dc |
|
MD5 | 0ae4bcb90ac5d34bef198386b596a32e |
|
BLAKE2b-256 | a8c883cc22ddcff2da267df5d4d58e52745f01964243b034e77cd42c493a88a4 |
Hashes for pyKVFinder-0.6.13-cp312-cp312-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | c5952077ccb5760bcef6286e7e7128e83f97cacb1510ae92e94acc1dab687d7d |
|
MD5 | bb832d8424c616d5bb21b40698d1b5cc |
|
BLAKE2b-256 | e8e7cdb6bdf951acce4eb1a1cac08116b434f84676d32fefabfc1c946b7795ba |
Hashes for pyKVFinder-0.6.13-cp311-cp311-win_amd64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | cce2747a21e2838779f6bb8e7bf6a71473d45c619c88c5390ac90b3ea9e94750 |
|
MD5 | 47fb940009d9e946e08bd217f89e871a |
|
BLAKE2b-256 | 83bf0bec40101d3b6d5ae1e9aab2a2988575d0e6fa45e1e2b0ff4399064287d5 |
Hashes for pyKVFinder-0.6.13-cp311-cp311-musllinux_1_1_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | f766217841cec5bb03b5e063e7db38a560c45815a73bfe2881b1a185c630b1c8 |
|
MD5 | 0a3a5a47d09c1b984d5b963e6ad32fde |
|
BLAKE2b-256 | 5fc62a0332ba602bb89de57a868b04dfec6b551020758de5769ffa96dc407fd6 |
Hashes for pyKVFinder-0.6.13-cp311-cp311-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 51c20d0818e91fab59acbb325ec8c7d4c936321e376dd9330c999666f901a2d3 |
|
MD5 | 7b07dd98b02999b95d92611cbda0f571 |
|
BLAKE2b-256 | 17b63923c322e64811127ffdb3fd0ad054bb44d878392385269d6891ef59ea62 |
Hashes for pyKVFinder-0.6.13-cp311-cp311-macosx_11_0_arm64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 800c76ab356ca5dc2e9a45e7ec9cb126439bdd596a814f09db153cc9224f80ab |
|
MD5 | abd0f72d237e086893737384bec60cf7 |
|
BLAKE2b-256 | 25f207929d66bf31c465f88e1dc33f267eee4ba16feca0d36f3df4658373b352 |
Hashes for pyKVFinder-0.6.13-cp311-cp311-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 48607c9ddc19b11a578df2634c5294705d5f8a0b6da933634f8940b6f967b6ba |
|
MD5 | 9bc7a917a616835bac0308315ffe995d |
|
BLAKE2b-256 | 1650ae126870337334fb2293dcdc1d785719bbedf6fab37756fda2b0ab4600bc |
Hashes for pyKVFinder-0.6.13-cp310-cp310-win_amd64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 90327bfbf35af32d7c1e274ad8ab15e83d119cdf2afae431638f1c98d757f308 |
|
MD5 | d8887a680ab2551eac15bf95118e50b5 |
|
BLAKE2b-256 | 1c501a116300d5568ebb034ff143f6439ad5dece3071930e2d0e13bfbd840ede |
Hashes for pyKVFinder-0.6.13-cp310-cp310-musllinux_1_1_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 5cc521266780aa9bda4861cc57f05d0061546729460c874403dbcd7a448a9378 |
|
MD5 | a3627c96201afb0f543e9fa3f2c56cef |
|
BLAKE2b-256 | b972c5ac1c5d202c67f4f824d164ccfad2896ec2f0d83ee8dadd8e5d9ceed46c |
Hashes for pyKVFinder-0.6.13-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 4ec49fe66c6c6d66fa2a3462033eed2906e2ce0dc8f42671b67a3357a648a71d |
|
MD5 | 507c71cd6fe0482b0175cb3c27620136 |
|
BLAKE2b-256 | 19fa43fcde7bdec1c39ba2230f6a060afe2d061f5d2ceb405757b2a8c010555f |
Hashes for pyKVFinder-0.6.13-cp310-cp310-macosx_11_0_arm64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 9902dc8c90460cf6a8af0b22f83d1af7d36fb24e8316d0129c08e52ed2406c0e |
|
MD5 | 79eb1569bd9b992664a405d3c0a87c80 |
|
BLAKE2b-256 | b6c35b002f5eaf60226a1af7c5dcd8d274edd503ccb25b38de12e7487ed43a04 |
Hashes for pyKVFinder-0.6.13-cp310-cp310-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | b0428c81c363e55b4179009cdeeadef4f6bb220a2a08705346dec38faa368f6b |
|
MD5 | 5baed5d25b58f97d1b1bb0a83bbff745 |
|
BLAKE2b-256 | 9d0f0d9fb8071780a9bce7d5afea0682da2f1f51b558b14fe77219d57714a84a |
Hashes for pyKVFinder-0.6.13-cp39-cp39-win_amd64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | b6c7675599b317e91ae29e6e920d8d063105c4d8819ebe5b80ddc7ed008b65b9 |
|
MD5 | 5ec4bdab059094b62665e7606b368738 |
|
BLAKE2b-256 | 55e5f4d7a795c56181f4bc9b88929ce19c3a682ece879a74907affbed77483f7 |
Hashes for pyKVFinder-0.6.13-cp39-cp39-musllinux_1_1_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | b38c4bb06fd664be62bbaf565549ef8a3d5f4c53a8655dd9ad05b86726669750 |
|
MD5 | af1dd02deb2946266e7ac8308dfe40fb |
|
BLAKE2b-256 | 279c13367782ccbec8147d683582180410fe1c9d38ca333f62646fd64e0f9467 |
Hashes for pyKVFinder-0.6.13-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 788fbd4887cfaab985935a30500e8e7099c617d29d4ee4e3e399bb0b92296589 |
|
MD5 | c52713981db0ed3920cb329710c628a6 |
|
BLAKE2b-256 | 90050dd9de25c877bf283db7230b4a0ae8f980b038d9dfde35ead2dda9686353 |
Hashes for pyKVFinder-0.6.13-cp39-cp39-macosx_11_0_arm64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 01e7a25d54ffd8b601706babcfc6e3ecbda92be4b6c4f0fa04b30042f8f0515e |
|
MD5 | e8fd360aee66a1e52bea4c16c0198f99 |
|
BLAKE2b-256 | a4753da5acc42c88cb2af91a0956e70fc2e717ae731821a496f2353ae5b28afa |
Hashes for pyKVFinder-0.6.13-cp39-cp39-macosx_10_9_x86_64.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | 54fc3ab9e2671f20fe05dae42ee6c164763d99ecf6fe61f93b234663ab4639ce |
|
MD5 | 268ea972c4a05f89a877ebc9ef957b8b |
|
BLAKE2b-256 | ea3fb84b98269a101826a806c1eaaa9007ef05c95f3ac4d7f5b0570c0c2287b3 |