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VolMapCreate.h File Reference

#include "Matrix4.h"

Go to the source code of this file.

Compounds
class	VolMapCreate
	Virtual class for dealing with the computation of VolMaps, based on atomic selections and atomic data and coordinates. It provides utilities for computing such maps. Various algorithms and specific calculations are done by child classes. The end result is a VolMap object, which can be passed to VMD (N/A yet) or written to a file. More...
class	VolMapCreateCoulombPotential
class	VolMapCreateCoulombPotentialMSM
class	VolMapCreateDensity
class	VolMapCreateDistance
class	VolMapCreateILS
	Implicit Ligand Sampling (ILS) algorithm. It finds the energy of placing a monoatomic or diatomic ligand at many points in the protein. More...
class	VolMapCreateInterp
class	VolMapCreateMask
class	VolMapCreateOccupancy
Defines
#define	VMDUSEMSMPOT   1
Functions
int	volmap_write_dx_file (VolumetricData *volmap, const char *filename)

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Define Documentation

#define VMDUSEMSMPOT   1

Definition at line 21 of file VolMapCreate.h.

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Function Documentation

int volmap_write_dx_file (  VolumetricData *    volmap, const char *    filename )

Definition at line 1241 of file VolMapCreate.C. Referenced by mdff_cc, write_bin_histogram_map, and VolMapCreate::write_map.

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