Open Babel: grid.h File Reference

Classes | Namespaces | Defines | Enumerations

# grid.h File Reference

Handle grids of values. More...

`#include <openbabel/babelconfig.h>`
`#include <openbabel/math/vector3.h>`
`#include <openbabel/base.h>`
`#include <openbabel/mol.h>`
`#include <iosfwd>`
`#include <algorithm>`
`#include <vector>`
`#include <string>`

Go to the source code of this file.

## Classes
class | OBGrid
| A base grid class. More...
class | OBFloatGrid
| Handle double precision floating point 3D grids (e.g., charge density around an OBMol) More...
class | OBProxGrid
| A grid for determining the proximity of a given point to atoms in an OBMol. More...
class | OBScoreGrid
| A base class for scoring docking interactions between multiple molecules. More...
## Namespaces
namespace | OpenBabel
## Defines
#define | OBPolarGrid 0x01
#define | OBLipoGrid 0x02
## Enumerations
enum | score_t { Undefined = -1, PLP, ChemScore }

## Detailed Description

Handle grids of values.

## Define Documentation

#define OBPolarGrid 0x01

Referenced by OBProxGrid::PolarGrid().

#define OBLipoGrid 0x02

Referenced by OBProxGrid::LipoGrid().

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