Classes | Namespaces
ContactMap.hh File Reference

Mover to create a ContactMap. More...

#include <protocols/contact_map/ContactMap.fwd.hh>
#include <protocols/moves/Mover.hh>
#include <core/select/residue_selector/ResidueSelector.fwd.hh>
#include <core/types.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <utility/vector1.hh>


class  protocols::contact_map::ContactMap
class  protocols::contact_map::ContactPartner
 Simple class that holds the information on an atom involved in a contact. More...
class  protocols::contact_map::Contact
 Simple class representing a contact between two atoms. More...


 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.

Detailed Description

Mover to create a ContactMap.

: This mover takes a pose and creates a matrix with true(1) or false(0) values for atom pairs depending on whether both atoms are within a specified cutoff distance. For protein residues (specified via region1/2 tag) CB or CA (Gly) atoms and for ligands (specified via ligand tag) all heavy atoms are used for distance calculations. Depending on the options specified values may be added up to include multiple poses in one ContactMap output file

Joerg Schaarschmidt