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<div>Hi Tom, </div>
<div>I am attaching the PQR files and raw PDB files of the crystal structure of human gamma D with two monomers rotated 90 degrees to one another. Please take a look at it and tell me what you think,</div>
<div>Thanks,</div>
<div>Vatsala</div>
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<span style="font-weight:bold">From: </span>Tom Goddard <<a href="mailto:goddard@sonic.net">goddard@sonic.net</a>><br>
<span style="font-weight:bold">Date: </span>Thursday, January 5, 2017 at 7:07 PM<br>
<span style="font-weight:bold">To: </span>"<a href="mailto:chimera-users@cgl.ucsf.edu">chimera-users@cgl.ucsf.edu</a> BB" <<a href="mailto:chimera-users@cgl.ucsf.edu">chimera-users@cgl.ucsf.edu</a>>, "Sagar, Vatsala (NIH/NEI) [F]" <<a href="mailto:vatsala.sagar@nih.gov">vatsala.sagar@nih.gov</a>><br>
<span style="font-weight:bold">Subject: </span>Re: [Chimera-users] dipoles<br>
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Hi Vatsala,
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<div class=""> I guess you are refering to the dipole.py script on the Chimera Python scripts web page:</div>
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<div class=""><span class="Apple-tab-span" style="white-space:pre"></span><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="">Yes it should give the same answer for a molecule and a copy of that molecule rotated by 90 degrees. Without have the structure and rotated PQR files I don’t know what is going wrong.</div>
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<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>Tom</div>
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<div class="">On Jan 4, 2017, at 11:17 AM, Sagar, Vatsala (NIH/NEI) [F] wrote:</div>
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<div class="">Hi,</div>
<div class="">Do you know if there is a method to calculate dipoles in Chimera? I have generated a PQR structure in predicted protonation state and uploaded it onto Chimera. I then used a downloaded app called dimer.py to calculate the dipole moments of two
of the same monomers rotated 90degrees. Technically they should both give the same dipole as the structures align 100% but according to the PDB coordinates are only rotated relative to one another. The dipole.py scipt is calculating them as two different
dipoles. Can you help me with this?</div>
<div class="">Thanks,</div>
<div class="">Vatsala Sagar</div>
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