If you have LSQMAN, this is trivial - read your superimposed files and use the
RMsd_calc command - http://xray.bmc.uu.se/usf/lsqman_man.html#S59
--Gerard
On Tue, 23 Nov 2010, Huiying Li wrote:
Another question on RMSD:
I have two structures of the same protein superposed with the LSQ Superpose
in Coot by matching the first ~100 residues of the N-terminal domain. Now I'd
like to calculate the pair-wise RMSD for the entire
pre-superposed structures (~400 residues). Can LSQKAB output RMSTAB for the
two input PDB files without doing its own FIT/MATCH calculation?
Thanks,
Huiying
___
Huiying Li, Ph. D
Department of Molecular Biology and Biochemistry
Natural Sciences I, Rm 2443
University of California at Irvine
Irvine, CA 92697, USA
Tel: 949-824-4322(or -1953); Fax: 949-824-3280
email: h...@uci.edu
Best wishes,
--Gerard
******************************************************************
Gerard J. Kleywegt
Dept. of Cell & Molecular Biology University of Uppsala
Biomedical Centre Box 596
SE-751 24 Uppsala SWEDEN
http://xray.bmc.uu.se/gerard/ mailto:ger...@xray.bmc.uu.se
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