clipper::MMDBManager

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 ()

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.

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/

Constructor & Destructor Documentation

clipper::MMDBManager::MMDBManager ( )

For later initialisation: see init()

Member Function Documentation

Spacegroup clipper::MMDBManager::spacegroup ( ) const

destructor

get spacegroup

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

clipper_mmdb.h
clipper_mmdb.cpp

Generated on 4 Jan 2010 for Clipper_mmdb by doxygen 1.6.1