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 -e 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.
If you use PyMOL pyKVFinder Tools, please also cite:
Guerra, J. V. da S., Ribeiro Filho, H. V., Bortot, L. O., Honorato, R. V., Pereira, J. G. de C., & Lopes-de-Oliveira, P. S. (2020). ParKVFinder: A thread-level parallel approach in biomolecular cavity detection. In SoftwareX (Vol. 12, p. 100606). Elsevier BV. https://doi.org/10.1016/j.softx.2020.100606.
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.
1 maintainer
Metadata
1 maintainer
Release files for pyKVFinder 0.9.6
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| pykvfinder-0.9.6.tar.gz | 216.6 kB | Without provenance | Details |
Built distributions (wheels)
Total release size: 23.2 MB
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Release files / pykvfinder-0.9.6-cp314-cp314-win_amd64.whl
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Release files / pykvfinder-0.9.6-cp314-cp314-musllinux_1_2_x86_64.whl
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Security for pyKVFinder 0.9.6
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