Hi Eric, It does give me the numerical value of the dipole moment, but how do I generate the dipole vector in the pdb structure? Thanks Ajay ________________________________ From: Eric Pettersen <pett@cgl.ucsf.edu> Sent: Thursday, November 19, 2015 7:56 PM To: Pande, Ajay K Cc: Chimera-users@cgl.ucsf.edu Subject: Re: [Chimera-users] calculating dipole moment of a protein in pdb 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 [Chimera-users] BCC CHARGES I've attached a script that if you run it (File->Open, or "open ~/ dipole.py" [if it's in your home directory]) will print the dipole moments of all open molecular ... Read more...<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 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