clipper::MMDBManager Class Reference

MMDB manager wrapper. More...

#include <clipper_mmdb.h>

List of all members.

Public Types
enum	TYPE { Default = -1, PDB, CIF, Binary }
Public Member Functions
	MMDBManager ()
	~MMDBManager ()
	null constructor
Spacegroup	spacegroup () const
	destructor
Cell	cell () const
	get cell
void	set_spacegroup (const Spacegroup &spacegroup)
	set spacegroup
void	set_cell (const Cell &cell)
	set cell
int	ReadCoorFile (char *name)
	For file i/o see http://www.ebi.ac.uk/~keb/cldoc/object/cl_obj_rdwr.html.
void	select (int hnd, int typ, char *str, int key)
	For selection functions see http://www.ebi.ac.uk/~keb/cldoc/object/cl_obj_selfnc.html.
PCModel	GetModel (int modelNo)
	For accessor functions see http://www.ebi.ac.uk/~keb/cldoc/object/cl_obj_surf.html.
int	AddModel (PCModel model)
	For editing functions see http://www.ebi.ac.uk/~keb/cldoc/object/cl_obj_edit.html.

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Detailed Description

MMDB manager wrapper.

This class is a trivial derivation of the corresponding MMDB, providing access in terms of Clipper types. Thus, when you such access, simply cast you MMDB object reference to this type to access the additional functions. For full documentation see: http://www.ebi.ac.uk/~keb/

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Constructor & Destructor Documentation

clipper::MMDBManager::MMDBManager

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)

For later initialisation: see init()

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Member Function Documentation

Spacegroup clipper::MMDBManager::spacegroup

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const

destructor

get spacegroup

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The documentation for this class was generated from the following files:

• clipper_mmdb.h
• clipper_mmdb.cpp