src/mmdb_coormngr.cpp File Reference

#include <math.h>
#include <string.h>
#include "mmdb_coormngr.h"
#include "mmdb_math_linalg.h"
#include "mmdb_tables.h"

Namespaces
namespace	mmdb
Defines
#define	CA_CA_Dist2   16.0
Functions
	mmdb::MakeStreamFunctions (GenSym) void Contact
	mmdb::DefineClass (ContactIndex) class ContactIndex
void	mmdb::DeleteMContacts (PPMContact &mcontact, int nContacts)
void	mmdb::GetEulerRotMatrix (mat33 &erm, realtype alpha, realtype beta, realtype gamma)
void	mmdb::GetEulerTMatrix (mat44 &erm, realtype alpha, realtype beta, realtype gamma, realtype x0, realtype y0, realtype z0)
void	mmdb::EulerRotation (PPAtom A, int nA, realtype alpha, realtype beta, realtype gamma, realtype x0, realtype y0, realtype z0)
void	mmdb::GetVecRotMatrix (mat33 &vrm, realtype alpha, realtype vx, realtype vy, realtype vz)
void	mmdb::GetRotParameters (mat33 &vrm, realtype &alpha, realtype &vx, realtype &vy, realtype &vz)
void	mmdb::GetVecTMatrix (mat44 &vrm, realtype alpha, realtype vx, realtype vy, realtype vz, realtype x0, realtype y0, realtype z0)
void	mmdb::VectorRotation (PPAtom A, int nA, realtype alpha, realtype vx, realtype vy, realtype vz, realtype x0, realtype y0, realtype z0)
void	mmdb::GetMassCenter (PPAtom A, int nA, realtype &xmc, realtype &ymc, realtype &zmc)
	mmdb::DefineClass (QSortContacts) class QSortContacts
void	mmdb::SortContacts (PContact contact, int ncontacts, CNSORT_DIR sortmode)
	mmdb::MakeStreamFunctions (CoorManager)
int	mmdb::SuperposeAtoms (mat44 &T, PPAtom A1, int nA, PPAtom A2, ivector C)
realtype	mmdb::getPhi (PPAtom A)
realtype	mmdb::getPsi (PPAtom A)
Variables
const realtype	mmdb::NO_TORSION = -MaxReal

---

Define Documentation

#define CA_CA_Dist2   16.0