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<p>Hi Eric,</p>
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<p>It does give me the numerical value of the dipole moment, but how do I generate the dipole vector in the pdb structure?</p>
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<p>Thanks</p>
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<p>Ajay</p>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" color="#000000" face="Calibri, sans-serif"><b>From:</b> Eric Pettersen <pett@cgl.ucsf.edu><br>
<b>Sent:</b> Thursday, November 19, 2015 7:56 PM<br>
<b>To:</b> Pande, Ajay K<br>
<b>Cc:</b> Chimera-users@cgl.ucsf.edu<br>
<b>Subject:</b> Re: [Chimera-users] calculating dipole moment of a protein in pdb</font>
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<div>Hi Ajay,
<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>The script referenced in this chimera-users archive message will compute it:</div>
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<div class=""><a id="LPlnk627799" href="http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-February/004780.html" class="">http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-February/004780.html</a></div>
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[Chimera-users] BCC CHARGES</div>
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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 ...</div>
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<a target="_blank" href="http://www.cgl.ucsf.edu/pipermail/chimera-users/2010-February/004780.html" style="font-size: 11px; font-family: "wf_segoe-ui_normal","Segoe UI","Segoe WP",Tahoma,Arial,sans-serif; text-decoration: none;" id="LPUrlAnchor_14483037953820.4094834771546695">Read
more...</a></div>
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<div class="">Extracting the script from that message may be challenging, so I’m attaching it again. It’s also available from our Chimera Scripts page:</div>
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<div class=""><a href="http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts" class="">http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts</a></div>
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<div class="">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).</div>
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<div class="">—Eric</div>
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<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>Eric Pettersen</div>
<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>UCSF Computer Graphics Lab</div>
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