Dear Computational Chemists
The mdxvu program for analysing MD trajectories now offers support for archive
files
created by Discover and other codes (eg DGII) in the MSI suite of software. This
is
achieved by the use of filter (PERL) scripts that convert the MSI archive files
into
the default AMBER ascii files used by mdxvu. This would also allow conformations
created by various tools in the MSI suite to be used as input to AMBER
refinement
methods (provided you also have an AMBER topology file).
These utilities are available at the site
http://www.nibsc.ac.uk/mdxvu/
If you have previously downloaded the mdxvu binaries you will only need to get
the
files
manual.htm
discover_utils.tar
best wishes
Mark
--
Dr Mark J Forster Ph.D.
Principal Scientist
Informatics Laboratory
National Institute for Biological Standards and Control
Blanche Lane, South Mimms,
Hertfordshire EN6 3QG, United Kingdom.
Tel +44 (0)1707 654753
FAX +44 (0)1707 646730
E-mail mforster_at_nibsc.ac.uk
Received on Fri Dec 01 2000 - 02:30:31 PST
