#include <openbabel/babelconfig.h>
#include <iosfwd>
#include <algorithm>
#include <vector>
#include <string>
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Namespaces | |
| namespace | OpenBabel |
Classes | |
| class | OBGrid |
| A base grid class. More... | |
| class | OBFloatGrid |
| Handle 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... | |
Defines | |
| #define | OBPolarGrid 0x01 |
| #define | OBLipoGrid 0x02 |
Enumerations | |
| enum | score_t { Undefined = -1, PLP, ChemScore } |
| #define OBPolarGrid 0x01 |
| #define OBLipoGrid 0x02 |
This file is part of the documentation for Open Babel, version 2.1.0.
1.5.2.