modules/chempy/water_amber.py

#A* -------------------------------------------------------------------
#B* This file contains source code for the PyMOL computer program
#C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific. 
#D* -------------------------------------------------------------------
#E* It is unlawful to modify or remove this copyright notice.
#F* -------------------------------------------------------------------
#G* Please see the accompanying LICENSE file for further information. 
#H* -------------------------------------------------------------------
#I* Additional authors of this source file include:
#-* 
#-* 
#-*
#Z* -------------------------------------------------------------------

normal = {
('HOH'  , 'O'     ) : { 'type' : 'OW'   , 'charge' : -0.8340 } ,
('HOH'  , 'H2'    ) : { 'type' : 'HW'   , 'charge' :  0.4170 } ,
('HOH'  , 'H1'    ) : { 'type' : 'HW'   , 'charge' :  0.4170 } ,
('WAT'  , 'O'     ) : { 'type' : 'OW'   , 'charge' : -0.8340 } ,
('WAT'  , 'H2'    ) : { 'type' : 'HW'   , 'charge' :  0.4170 } ,
('WAT'  , 'H1'    ) : { 'type' : 'HW'   , 'charge' :  0.4170 } ,
}