[Biopython] Rotamer tool for Biopython

Gábor Erdős e.gabor90 at gmail.com
Thu Dec 1 11:00:57 EST 2022


Dear All!

I am Gábor Erdős from Hungary. I developed a simple tool to introduce
rotamers to PBD structures using Biopython and I would like to know if such
a feature would be of interest for a pull request. It uses the Dunbrack
rotamer set, which as far as I know is fully open and can be distributed
freely. The rotamer set in itself is big, and I know Biopython should be as
light as possible, so my idea was to only include rotamers with higher than
1% (or 5%) probability.

The current code can be found here: https://github.com/gerdos/pyMUT

Best regards, Gábor
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