mayachemtools
MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational discovery needs.
MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational discovery needs.
To install this package, run one of the following:
The core functionality is included with this package. To enable additional features, install optional dependencies:
conda install -c conda-forge -c bioconda -c schrodinger rdkit pymol perl-dbi perl-dbd-mysql
This enables the Perl database scripts, as well as the RDKit and PyMOL python scripts described on the homepage.
Alternatively, use this provided conda environment which includes optional dependencies.
Summary
MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational discovery needs.
Last Updated
Sep 1, 2020 at 03:46
License
GPL
Supported Platforms