X-PLOR vs Hydrogens

Thomas J. Stout stout at socrates.ucsf.edu
Mon Jan 27 19:44:51 EST 1997

I wonder if anyone could explain to me what X-PLOR
is doing to protons in 'brefinement.inp'?!?

We are currently running X-PLOR v3.8.43. 

The reason I am concerned is that the B-factors assigned
to the protons appear to be the 'refined overall B-factor'
from the beginning of the job, which isn't particularly
appropriate.  Shouldn't the assigned value more closely
approximate a 'riding model' under the assumption that
the B-factor of a particular proton will be pretty closely
related to the B-factor of the heavier atom to which it 
is attached?


Thomas J. Stout, Ph.D.                               stout at msg.ucsf.edu
Box 0448 Department of Biochemistry                  stout at neptune.ucsf.edu
School of Medicine                                   stout at brok.ucsf.edu
University of California, San Francisco              (415) 476-3937
San Francisco, CA 94143-0448                         (415) 476-1902 FAX

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