Subject: Seeking molecular RMS programme

From: "Hr Dr. S. Shapiro" <[email-masked]>
Date: Thu, 11 Jan 1996 16:58:13 +0100 (MET)

Dear Colleagues;

     I have a collection of Sybyl .mol2 files in DOS format (extension .mol)
containing structures of molecules in particular alignments, and which I wish
to compare in a pairwise fashion in order to obtain RMS values.  Does anyone
know of a (stand-alone?) programme that runs under DOS or Windows that will
calculate RMS values for pairs of molecular structures encoded in the Sybyl
 ..mol2 file format or other file format that can be generated from .mol using
Babel?  If not a programme per se, then does anyone know of a source code
of a programme that can do this that can be potentially ported to DOS?

     Thanks in advance to all responders.

Sincerely,

(Dr.) S. Shapiro
Inst. f. orale Mikrobiol. u. allg. Immunol.
Zent. f. Zahn-, Mund- u. Kieferheilkd. der Univ. ZH
Plattenstr. 11
Postfach
CH-8028 ZH 7

Internet: [email-masked]
FAX-nr: ( ... + 1) 261'56'83