23 lines
1.1 KiB
Python
23 lines
1.1 KiB
Python
#A* -------------------------------------------------------------------
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#B* This file contains source code for the PyMOL computer program
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#C* copyright 1998-2000 by Warren Lyford Delano of DeLano Scientific.
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#D* -------------------------------------------------------------------
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#E* It is unlawful to modify or remove this copyright notice.
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#F* -------------------------------------------------------------------
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#G* Please see the accompanying LICENSE file for further information.
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#H* -------------------------------------------------------------------
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#I* Additional authors of this source file include:
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#-*
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#-*
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#-*
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#Z* -------------------------------------------------------------------
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normal = {
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('HOH' , 'O' ) : { 'type' : 'OW' , 'charge' : -0.8340 } ,
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('HOH' , 'H2' ) : { 'type' : 'HW' , 'charge' : 0.4170 } ,
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('HOH' , 'H1' ) : { 'type' : 'HW' , 'charge' : 0.4170 } ,
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('WAT' , 'O' ) : { 'type' : 'OW' , 'charge' : -0.8340 } ,
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('WAT' , 'H2' ) : { 'type' : 'HW' , 'charge' : 0.4170 } ,
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('WAT' , 'H1' ) : { 'type' : 'HW' , 'charge' : 0.4170 } ,
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}
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