#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 |