A python package for graph-based detection of structurally similar surface regions in protein complexes, with a focus on peptide-MHC (pMHC) systems involved in T cell receptor (TCR) recognition.
Project description
Structural Similarity Detection in pMHC Complexes (MHCXGraph)
A python package for graph-based detection of structurally similar surface regions in protein complexes, with a focus on peptide–MHC (pMHC) systems involved in T cell receptor (TCR) recognition.
The methodology supports the investigation of TCR cross-reactivity by identifying conserved surface patterns that may be recognized by the same TCR across different pMHC structures.
See also:
Installation
To install the latest release on PyPI, run:
pip install MHCXGraph
Or to install the latest developmental version, run:
git clone https://github.com/cnpem/MHCXGraph.git
pip install -e MHCXGraph
Citation
- (manuscript in preparation)
License
The software is licensed under the terms of the GNU Affero General Public License 3 (AGPL3) 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 Affero General Public License for more details.
TODO
Adicionar um botão para travar a rotação de todas as proteínas
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