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[ccp4bb]: a general question on anisotropic B-factors

To: ccp4bb@dl.ac.uk
Subject: [ccp4bb]: a general question on anisotropic B-factors
From: "S. Thiyagarajan" <tyahaa@yahoo.com>
Date: Mon, 7 Apr 2003 07:09:37 -0700 (PDT)
Sender: owner-ccp4bb@dl.ac.uk

given a set of atomic coordinates, can somebody tell me how the anisotropic B-factors can be caculated. if it is just the rmsd * (8/3) * (pie**2) how are the directions assigned to the thermal ellipsoids (e.g as in ORTEP)

regards

thiyaga

===================================================
== S. Thiyagarajan ==
== Research Scholar ==
== Department of Crystallography and Biophysics ==
== University of Madras, Guindy Campus ==
== Chennai - 600 025. India ==
===================================================

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