Subject: Coordinate Fitting

From: "Bruce A. Luxon" <[email-masked]>
Date: Thu, 16 Mar 1995 09:45:50 -0600

CCL Readers,

We've used David Heisterberg's (at OSC) QUATFIT for several years with good
results. However, we don't routinely use coordinates in the XYZ (XMOL) format
so when we want to use QUATFIT we need to do several format translations (for
which BABEL by Pat Walters at U. AZ has been invaluable). We use AMBER
for the most part so "PDB-like" coordinate files are the norm in our work.
These also contain more information than XYZ files - a feature we like, too.
My question is:

Is there a high quality UNIX (SGI) coordinate fitting routine available that
is more PDB oriented than QUATFIT?

Thanks in advance for your replies,

Bruce

-- 
*=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-*
*  Bruce A. Luxon, Ph.D                                                    *
*  Assistant Professor                                                     *
*  UTMB NMR Center                                                         U
*  Dept. of Human Biological Chemistry & Genetics                          T
*  University of Texas Medical Branch                                      M
*  Galveston, TX   77555-1157                                              B
*                                                                          *
*  (409)747-6802; Fax (409)747-6850                                        *
*  [email-masked]                             http://www.nmr.utmb.edu/ *
*=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-*