Change behaviour of selection in MetricSASA

Acellera / moleculekit

MoleculeKit: Your favorite molecule manipulation kit

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Change behaviour of selection in MetricSASA #18

Closed stefdoerr closed 5 years ago

stefdoerr commented 5 years ago

Currently it filters out all other atoms. The more intuitive behaviour would be to calculate the SASA including all atoms and just return the selected values. Will need to add a filtersel option for filtering if desired

stefdoerr commented 5 years ago

Closed by https://github.com/Acellera/moleculekit/commit/e24f803589fb00efed893c075acde56bc7a26017