src/mmdb_coormngr.h File Reference

#include "mmdb_root.h"

Go to the source code of this file.

Classes
class	mmdb::Brick
class	mmdb::MBrick
class	mmdb::GenSym
struct	mmdb::Contact
class	mmdb::MContact
class	mmdb::CoorManager
Namespaces
namespace	mmdb
Typedefs
typedef PPBrick *	mmdb::PPPBrick
typedef PPMBrick *	mmdb::PPPMBrick
Enumerations
enum	mmdb::BRICK_STATE { mmdb::BRICK_ON_1 = 0x00000001, mmdb::BRICK_ON_2 = 0x00000002, mmdb::BRICK_READY = 0x00000004 }
enum	mmdb::CID_RC {   mmdb::CID_Ok = 0, mmdb::CID_NoModel = 1, mmdb::CID_NoChain = 2, mmdb::CID_NoResidue = 3,   mmdb::CID_NoAtom = 4, mmdb::CID_WrongPath = 5 }
enum	mmdb::GSM_RC { mmdb::GSM_Ok = 0, mmdb::GSM_NoSymOps = 1, mmdb::GSM_NoTransfMatrices = 2, mmdb::GSM_NoCell = 3 }
enum	mmdb::SPOSEAT_RC { mmdb::SPOSEAT_Ok = 0, mmdb::SPOSEAT_NoAtoms = 1, mmdb::SPOSEAT_SVD_Fail = 2 }
enum	mmdb::CNSORT_DIR {   mmdb::CNSORT_OFF = 0, mmdb::CNSORT_1INC = 1, mmdb::CNSORT_1DEC = 2, mmdb::CNSORT_2INC = 3,   mmdb::CNSORT_2DEC = 4, mmdb::CNSORT_DINC = 5, mmdb::CNSORT_DDEC = 6 }
Functions
	mmdb::DefineClass (Brick)
	mmdb::DefineClass (MBrick)
	mmdb::DefineClass (GenSym)
	mmdb::DefineStreamFunctions (GenSym)
	mmdb::DefineStructure (Contact)
	mmdb::DefineClass (MContact)
void	mmdb::DeleteMContacts (PPMContact &mcontact, int nContacts)
	mmdb::DefineClass (CoorManager)
	mmdb::DefineStreamFunctions (CoorManager)
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)
int	mmdb::SuperposeAtoms (mat44 &T, PPAtom A1, int nA, PPAtom A2, ivector C)
void	mmdb::SortContacts (PContact contact, int ncontacts, CNSORT_DIR sortmode)
realtype	mmdb::getPhi (PPAtom A)
realtype	mmdb::getPsi (PPAtom A)