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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)


Define Documentation

#define VMDUSEMSMPOT   1
 

Definition at line 21 of file VolMapCreate.h.


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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