#include <openbabel/mol.h>
#include <openbabel/parsmart.h>
Include dependency graph for groupcontrib.h:
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Go to the source code of this file.
Namespaces | |
| namespace | OpenBabel |
Classes | |
| class | OBGroupContrib |
| Handle group contribution algorithms. More... | |
| class | OBLogP |
| calculate the LogP (octanol/water partition coefficient). More... | |
| class | OBPSA |
| calculate the TPSA (topological polar surface area). More... | |
| class | OBMR |
| calculate the MR (molar refractivity). More... | |
This file is part of the documentation for Open Babel, version 2.1.0.
1.5.2.