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Author:
Aaron Sweeney
Summary:
Detect non-covalent interactions between proteins, nucleic acids, ligands and metals in PDB/mmCIF structures, with a Python API, a CLI, and a C++ geometry core.
Latest version:
0.1.0
Required dependencies:
dimorphite-dl
|
gemmi
|
numpy
|
pyyaml
|
rdkit
Optional dependencies:
chemur
|
mdanalysis
|
pandas
|
pytest
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