pyemma.coordinates.featurizer

pyemma.coordinates.featurizer(topfile)

Featurizer to select features from MD data.

Parameters:topfile (str) – path to topology file (e.g pdb file) Returns:feat Return type:Featurizer

See also

data.MDFeaturizer()

Examples

Create a featurizer and add backbone torsion angles to active features. Then use it in source()

>>> feat = pyemma.coordinates.featurizer('my_protein.pdb')
>>> feat.add_backbone_torsions()
>>> reader = pyemma.coordinates.source(["my_traj01.xtc", "my_traj02.xtc"], features=feat)