===== About ===== **AtomPacker** is a Python package for packing nanocluster into supramolecular cages. The package is designed to be user-friendly and easy to integrate with other Python packages. Issues ====== AtomPacker package uses GitHub for project management. Please help us by reporting any problems or requests on the `Issues `_ page. Only make sure the bug or request has not already been reported. Click on “Search” and enter some keywords to search. Thank you for helping us improve AtomPacker! Scientific team =============== **AtomPacker** was developed by: * João V. S. Guerra :sup:`[1]` * Gabriel E. Jara :sup:`[1]` * Paulo S. Lopes-de-Oliveira :sup:`[1]` * György Szalóki :sup:`[2]` [1] Brazilian Biosciences National Laboratory, Brazilian Center for Research in Energy and Materials (`CNPEM `_). [2] Laboratoire Hétérochimie Fondamentale et Appliquée, CNRS, Université Toulouse III─Paul Sabatier. If you have any further questions, inquires or if you wish to contribute to AtomPacker project, please contact us at joao.guerra@lnbio.cnpem.br. Citing ====== If you use **AtomPacker** in your reserach, please cite the following references: * 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. ``_. * (manuscript in preparation) Guerra, J. V. S., Jara, G. E., Lopes-de-Oliveira, P. S., & Szalóki, G. (2024). AtomPacker: a Python package for packing nanocluster into supramolecular cages. Funding ======= This work was supported by in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) – Finance Code 001 [Grant Number 88887.928702/2023-00], and Brazilian Center for Research in Energy and Materials (CNPEM). 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.