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describe_features shows odd behavior for FsPeptide topology
When I use DihedralFeaturizer
on the FsPeptide
dataset, some features seem to have incorrect descriptions:
>> DihedralFeaturizer().describe_features(trajectories[0])[77]
{'atominds': array([174, 176, 182, 184]),
'featuregroup': 'psi',
'featurizer': 'Dihedral',
'otherinfo': 'cos',
'resids': [16, 15],
'resnames': ['ALA'],
'resseqs': [16, 17]}
notice that the order of resids
is wrong and resnames
only has one residue name.