[Biopython] Rotamer tool for Biopython
Gábor Erdős <[email protected]> Thu, 1 Dec 2022 13:00:57 -0300
| Newsgroups | gmane.comp.python.bio.general |
|---|---|
| Message-ID | <CAOskA_fbVTei=W4-EkX8Dp4au3+iSyCbGKrUn-3_U_hprT4Bpg@mail.gmail.com> |
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 _______________________________________________ Biopython mailing list - [email protected] https://mailman.open-bio.org/mailman/listinfo/biopython