Combine qFit residue into qFit protein - Githubissues

ExcitedStates / qfit-3.0

qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.

MIT License

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Combine qFit residue into qFit protein #371

Closed stephaniewankowicz closed 11 months ago

stephaniewankowicz commented 11 months ago

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Got so sick with having to make changes to qFit_protein or qFit_residue.

You can now run a single residue in qFit_protein by using the option --residue chained,residue_id.

A great project for a future summer student would be to expand this to multiple residues.