phmodel.h File Reference

Read pH rules and assign charges. More...

#include <openbabel/parsmart.h>
#include <openbabel/data.h>

Include dependency graph for phmodel.h:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Namespaces

namespace  OpenBabel

Classes

class  OBChemTsfm
 SMARTS based structural modification (chemical transformation). More...
class  OBPhModel
 Corrections for pH used by OBMol::CorrectForPH(). More...

Detailed Description

Read pH rules and assign charges.