Re: [Biopython] Rotamer tool for Biopython

Hi Gábor,

Glad to see you still working on this. It would be a welcome addition.
Happy to review the PR.

Best,

João

A quinta, 1/12/2022, 15:01, Gábor Erdős <[email protected]> escreveu:

> 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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