From: Jurgen F. Doreleijers (jurgen@yola.bmrb.wisc.edu)
Date: Mon Feb 26 2001 - 12:52:12 CST
Dear subscriber to the BMRB mailing list,
If you are interested in Analyzing the QUAlity of biomolecular
structures that were determined via NMR spectroscopy, have a look at
AQUA. Initially developed by Ton Rullmann and myself in the NMR
Spectroscopy Department, Bijvoet Center for Biomolecular Research,
Utrecht, The Netherlands, AQUA currently is maintained and expanded by
me at the BioMagResBank, University of Wisconsin-Madison, USA.
Only a small number of new features have been added since the last
release (3.0 in early 1999), but I am interested in making AQUA more
useful. A serious limitation of the current AQUA package is its
inability to handle ambiguous NOEs, of the type commonly used by
programs such as AMBER, ARIA, CNS, and SANE. Please inform me if you
have a parser that can handle the full set of formats used for
ambiguous NOEs.
Information and locations for the AQUA web servers and ftp site can be
found on the new AQUA homepage at: http://bmrb.wisc.edu/~jurgen/aqua
Please send me your suggestions and,
have fun,
Jurgen
--
Jurgen F. Doreleijers
BioMagResBank, Univ. of Wisconsin-Madison, WI, USA
http://bmrb.wisc.edu/~jurgen
mailto:jurgen@bmrb.wisc.edu
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