Get qFit to work with nucleotides

ExcitedStates / qfit-3.0

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

MIT License

34 stars 11 forks source link

Get qFit to work with nucleotides #324

Open stephaniewankowicz opened 1 year ago

stephaniewankowicz commented 1 year ago

qFit does not currently work when there are nucleotides in the structure. We should be able to mask the nucleotide atoms out just as we do with ligands.