pyKVFinder

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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.

Project links

Key dates

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Latest release

Owner

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1 maintainer

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Avatar for jvsguerra from gravatar.com jvsguerra

Credits

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Data sourced directly from PyPI's database.

Author/Maintainer: Helder V. Ribeiro-Filho, Luiz F. G. Alves, Pablo W. A. Silva, Gabriel E. Jara, Leandro O. Bortot, José G. C. Pereira, Paulo S. Lopes-de-Oliveira

License expression

GPL-3.0-or-later
View SPDX License List

Requires

Python >=3.10

Tags

structural biology proteins biomolecules cavity detection cavity characterization binding sites

Classifiers

Report project as malware

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Release history Release notifications | RSS feed

This release

0.9.5 This release

41 files

0.9.4

41 files

0.9.3

41 files

0.9.2

41 files

0.9.1

41 files

0.9.0

41 files

0.8.4

41 files

0.8.3

33 files

0.8.2

33 files

0.8.1

25 files

0.8.0

21 files

0.7.3

21 files

0.7.2

21 files

0.7.1

16 files

0.7.0

16 files

0.6.16

21 files

0.6.15

21 files

0.6.14

21 files

0.6.13

21 files

0.6.12

17 files

0.6.11

13 files

0.6.10

13 files

0.6.9

10 files

0.6.8

10 files

0.6.7

10 files

0.6.6

10 files

0.6.5

10 files

0.6.4

10 files

0.6.3

10 files

0.6.2

10 files

0.6.1

13 files

0.6.0

13 files

0.5.5

13 files

0.5.4

13 files

0.5.3

13 files

0.5.2

13 files

0.5.1

13 files

0.5.0

13 files

0.4.5

6 files

0.4.4

6 files

0.4.3

6 files

0.4.2

6 files

0.4.1

6 files

0.4.0

6 files

0.3.2

6 files

0.3.1

8 files

0.3.0

8 files

0.2.5

6 files

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