Metadata-Version: 2.4
Name: strange-mol
Version: 0.0.1
Summary: Compute possible interaction between molecules.
Author-email: Lucas ROUAUD <lucas.rouaud@gmail.com>
Maintainer-email: Lucas ROUAUD <lucas.rouaud@gmail.com>
License: MIT License
Project-URL: Homepage, https://gitlab.galaxy.ibpc.fr/rouaud/strange
Project-URL: Repository, https://gitlab.galaxy.ibpc.fr/rouaud/strange
Keywords: python,chemical,protein,properties,bioinformatic,chemoinformatic
Classifier: License :: OSI Approved :: MIT License
Classifier: Development Status :: 4 - Beta
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3.5
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE_CC_BY
License-File: LICENSE_MIT
License-File: AUTHORS.md
Requires-Dist: mdanalysis
Requires-Dist: molviewspec
Requires-Dist: numpy
Requires-Dist: OpenMM
Requires-Dist: pdbfixer
Requires-Dist: pyyaml
Requires-Dist: rdkit
Dynamic: license-file

# strange

python -m src.strange -i ~/Downloads/4jet_cleaned.gro -a "both" -s "protein" "not protein" -o ~/Downloads/test.csv --visualisation ~/Downloads/test.mvsj --pharmacophore ~/Downloads/pharmacophore_1.csv ~/Downloads/pharmacophore_2.csv
