contact_map.MinimumDistanceCounter¶

class
contact_map.
MinimumDistanceCounter
(trajectory, query, haystack)[source]¶ Count how often each atom pair is the minimum distance.
Parameters: 
topology
¶ the topology object associated with the class
Type: mdtraj.Topology

atom_pairs
¶ list of 2tuples representing atom index pairs to use when looking for the minimum distance
Type: list

minimum_distances
¶ the minimum distance between query group and haystack group at each frame of the trajectory
Type: list

__init__
(trajectory, query, haystack)[source]¶ Initialize self. See help(type(self)) for accurate signature.
Methods
__init__
(trajectory, query, haystack)Initialize self. Attributes
atom_count
map from atom pair to the number of times that pair is the minimum distance atom_history
list of atom pairs when represent the minimum distance at each frame of the trajectory residue_count
map from residue pair to the number of times that pair is the minimum distance residue_history
list of residue pairs when represent the minimum distance at each frame of the trajectory 
atom_count
¶ map from atom pair to the number of times that pair is the minimum distance
Type: collections.Counter

atom_history
¶ list of atom pairs when represent the minimum distance at each frame of the trajectory
Type: list of 2tuples

residue_count
¶ map from residue pair to the number of times that pair is the minimum distance
Type: collections.Counter

residue_history
¶ list of residue pairs when represent the minimum distance at each frame of the trajectory
Type: list of 2tuples
