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icoor_support.hh File Reference
#include <core/chemical/MutableResidueType.fwd.hh>
#include <core/chemical/ResidueGraphTypes.hh>
#include <core/chemical/AtomICoor.fwd.hh>
#include <core/kinematics/tree/Atom.fwd.hh>
#include <map>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::chemical
 

Typedefs

typedef std::map
< core::chemical::VD,
core::kinematics::tree::AtomOP
core::chemical::VdTreeatomMap
 

Functions

void core::chemical::clean_up_dangling_connect (core::chemical::MutableResidueType &restype, ICoordAtomIDType remove_type)
 Attempt to find new ICOOR definitions for entries in the ResidueType which rely on a now-deleted upper/lower connection (Connection type is specified by the passed type.) More...
 
void core::chemical::reroot_restype (core::chemical::MutableResidueType &restype, core::chemical::ResidueGraph const &graph, core::chemical::VD root)
 Reroot the Icoord records of a ResidueType on the given atom We need direct access to the ResidueGraph, so this function can only be called by ResidueType itself. More...
 
void core::chemical::fill_ideal_xyz_from_icoor (core::chemical::MutableResidueType &restype, core::chemical::ResidueGraph const &graph)
 

Detailed Description

Author
Rocco Moretti (rmore.nosp@m.ttia.nosp@m.se@gm.nosp@m.ail..nosp@m.com)