BALL::MMFF94AtomTyper::AromaticType Struct Reference

#include <BALL/MOLMEC/MMFF94/MMFF94Processors.h>

Public Attributes
String	new_type
Position	atomic_number
bool	cation
bool	anion

Detailed Description

Definition at line 46 of file MMFF94Processors.h.

Member Data Documentation

anion

bool BALL::MMFF94AtomTyper::AromaticType::anion

Definition at line 51 of file MMFF94Processors.h.

atomic_number

Position BALL::MMFF94AtomTyper::AromaticType::atomic_number

Definition at line 49 of file MMFF94Processors.h.

cation

bool BALL::MMFF94AtomTyper::AromaticType::cation

Definition at line 50 of file MMFF94Processors.h.

new_type

String BALL::MMFF94AtomTyper::AromaticType::new_type

Definition at line 48 of file MMFF94Processors.h.