Description:
pyKVFinder 0.6.15
pyKVFinder
A Python package for detecting and characterizing biomolecular cavities.
See also:
GitHub repository
Documentation and tutorial
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.
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.
License
For personal and professional use. You cannot resell or redistribute these repositories in their original state.
Customer Reviews
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