BALL::MMFF94VDWParameters::VDWEntry Struct Reference

#include <BALL/MOLMEC/MMFF94/MMFF94Parameters.h>

List of all members.

Public Attributes
double	alpha_i
double	ni
double	ai
double	gi
short	donor_acceptor
bool	valid

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Detailed Description

Definition at line 465 of file MMFF94Parameters.h.

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Member Data Documentation

double BALL::MMFF94VDWParameters::VDWEntry::ai

Definition at line 469 of file MMFF94Parameters.h.

double BALL::MMFF94VDWParameters::VDWEntry::alpha_i

Definition at line 467 of file MMFF94Parameters.h.

short BALL::MMFF94VDWParameters::VDWEntry::donor_acceptor

Definition at line 471 of file MMFF94Parameters.h.

double BALL::MMFF94VDWParameters::VDWEntry::gi

Definition at line 470 of file MMFF94Parameters.h.

double BALL::MMFF94VDWParameters::VDWEntry::ni

Definition at line 468 of file MMFF94Parameters.h.

bool BALL::MMFF94VDWParameters::VDWEntry::valid

Definition at line 472 of file MMFF94Parameters.h.