Hi,
The bioconda channel is a Conda channel (https://bioconda.github.io/
<https://bioconda.github.io/>) providing bioinformatics related packages for
Linux and Mac OS. Looking through the packages it is clear there it already
contains a number of chemistry packages including Openbabel.
• OpenBabel
• Rdkit
• Opsin
• chemfp
• gromacs
• osra
• Autodock Vina
• openmg
• align-it
• strip-it
• shape-it
• np-likeness-scorer
• PubChem.py
• Smina
Rather than try to duplicate this effort for a "Chemconda" it seems more
efficient to encourage chemists to contribute to Bioconda. If you do package a
chemistry application for Bioconda please let me know and I'll publicise it on
my blog and add it to the list above. To start things rolling I added
PubChem.py to Bioconda and I've written a page describing how to create a
bioconda recipe (https://www.macinchem.org/reviews/bioconda/bioconda.php
<https://www.macinchem.org/reviews/bioconda/bioconda.php>)
Cheers,
Chris------------------------------------------------------------------------------
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