stateinterpreter.utils.visualize.visualize_residue_score#

class stateinterpreter.utils.visualize.visualize_residue_score(trajectory, states_labels, classes_names, residue_score, representation='licorice', palette='Reds', state_frames=None, relevant_features=None, features_info=None)[source]#

Bases:

Visualize snapshots of each state coloring the residues with the score per each state.

Parameters

  • trajectory (mdtraj.Trajectory) – MD trajectory

  • states_labels (pd.DataFrame) – labels

  • classes_names (list) – names of the classes

  • residue_score (dict) – dictionary with the scores per each state

  • representation (str, optional) – type of representation (licorice,cartoon,ball-and-stick), by default ‘licorice’

  • palette (str, optional) – color scheme, by default ‘Reds’

Returns

View object

Return type

nglview viewer

__init__(**kwargs)#