phmodel.h File Reference

Read pH rules and assign charges. More...

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

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

Namespaces

namespace  OpenBabel

Detailed Description

Read pH rules and assign charges.

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