Subject: Torsional uncertainty in PDB files

From: [email-masked] (M. Nicklaus)
Date: Mon, 4 Apr 1994 18:51:27 -0400

Does anybody know what the average uncertainty of torsion angles
is in macromolecule X-ray structures such as the one deposited 
in the PDB?  I am particularly interested in the torsional 
uncertainties of the small molecule ligands complexed with the 
biological macromolecule.  Any references would be most welcome.

Please answer to me directly; I will summarize for the Net if 
there's enough interest.
^C
(Interrupt -- one more to kill letter)
^CInterrupt
& m [email-masked]
Subject: Torsional uncertainty in PDB files
Does anybody know what the average uncertainty of torsion angles
is in macromolecule X-ray structures such as the ones deposited 
in the PDB?  I am particularly interested in the torsional 
uncertainties of the small molecule ligands complexed with the 
biological macromolecules. Any references would be most welcome.

Please answer to me directly; I will summarize for the Net if 
there's enough interest.

Marc

------------------------------------------------------------------------
 Marc C. Nicklaus                        Lab. of Medicinal Chemistry
 e-mail: [email-masked]               National Cancer Institute, NIH
 Phone:  (301) 402-3111                  Bldg 37, Rm 5B29
 Fax:    (301) 496-5839                  Bethesda, MD 20892
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