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mayachemtools

Community

MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational discovery needs.

Installation

To install this package, run one of the following:

Conda
$conda install basecon::mayachemtools

Usage Tracking

1.0.0
1 / 8 versions selected
Downloads (Last 6 months): 0

Description

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.

About

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

linux-64
macOS-64