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@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
_______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu <mailto:Chimera-users@cgl.ucsf.edu> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users <http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users>