biobb_structure_utils is the Biobb module collection to perform basic manipulations on 3d structures.
Project description
biobb_structure_utils
Introduction
Biobb_structure_utils is the Biobb module collection to modify or extract information from a PDB structure file, such as pulling out a particular model or chain, removing water molecules or ligands, or renumbering or sorting atoms or residues. Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular bioinformatics tools. The latest documentation of this package can be found in our readthedocs site: latest API documentation.
Version
v2.0.0 2019.4
Copyright & Licensing
This software has been developed in the MMB group at the BSC & IRB for the European BioExcel, funded by the European Commission (EU H2020 823830, EU H2020 675728).
- (c) 2015-2019 Barcelona Supercomputing Center
- (c) 2015-2019 Institute for Research in Biomedicine
Licensed under the Apache License 2.0, see the file LICENSE for details.
Acknolegements
This software uses functions to read and modify GRO files based in the GROPY library created by Zhikun Cai (caizkun@gmail.com) under the MIT. In this project GROPY has been adapted to Python 3 and our own needs.
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