[Chimera-users] calculating dipole moment of a protein in pdb

Eric Pettersen pett at cgl.ucsf.edu
Thu Nov 19 16:56:41 PST 2015


Hi Ajay,
	The script referenced in this chimera-users archive message will compute it:

http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-February/004780.html <http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-February/004780.html>

Extracting the script from that message may be challenging, so I’m attaching it again.  It’s also available from our Chimera Scripts page:

http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts <http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts>

Like it says in the original message you have to assign partial charges before running the script (Tools->Structure Editing->AddCharge, or the “addcharge” command).

—Eric

	Eric Pettersen
	UCSF Computer Graphics Lab




> On Nov 19, 2015, at 12:20 PM, Pande, Ajay K <apande at albany.edu> wrote:
> 
> Could you please tell me how to calculate the dipole moment of a protein in Chimera, given its pdb file? 
> 
> Thanks
> 
> Ajay
> 
> 
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