phmodel.h File Reference

Read pH rules and assign charges. More...

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

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

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Detailed Description

Read pH rules and assign charges.