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Public Attributes | List of all members
BALL::MMFF94VDWParameters::VDWEntry Struct Reference

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

Public Attributes

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

Detailed Description

Definition at line 463 of file MMFF94Parameters.h.

Member Data Documentation

double BALL::MMFF94VDWParameters::VDWEntry::ai

Definition at line 467 of file MMFF94Parameters.h.

double BALL::MMFF94VDWParameters::VDWEntry::alpha_i

Definition at line 465 of file MMFF94Parameters.h.

short BALL::MMFF94VDWParameters::VDWEntry::donor_acceptor

Definition at line 469 of file MMFF94Parameters.h.

double BALL::MMFF94VDWParameters::VDWEntry::gi

Definition at line 468 of file MMFF94Parameters.h.

double BALL::MMFF94VDWParameters::VDWEntry::ni

Definition at line 466 of file MMFF94Parameters.h.

bool BALL::MMFF94VDWParameters::VDWEntry::valid

Definition at line 470 of file MMFF94Parameters.h.