BALL::MOL2File::MoleculeStruct Struct Reference

#include <BALL/FORMAT/MOL2File.h>

List of all members.

Public Attributes
String	name
Size	number_of_atoms
Size	number_of_bonds
Size	number_of_substructures
Size	number_of_features
Size	number_of_sets
String	type
String	charge_type
String	comment

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Member Data Documentation

String BALL::MOL2File::MoleculeStruct::charge_type

String BALL::MOL2File::MoleculeStruct::comment

String BALL::MOL2File::MoleculeStruct::name

Size BALL::MOL2File::MoleculeStruct::number_of_atoms

Size BALL::MOL2File::MoleculeStruct::number_of_bonds

Size BALL::MOL2File::MoleculeStruct::number_of_features

Size BALL::MOL2File::MoleculeStruct::number_of_sets

Size BALL::MOL2File::MoleculeStruct::number_of_substructures

String BALL::MOL2File::MoleculeStruct::type