Subject: new software release - PADRE

From: Matt Stahl <[email-masked]>
Date: Thu, 14 Dec 1995 16:48:54 -0500 (EST)

Netters,
	Pat Walters and I are releasing the latest program from BABEL, Inc.  
Here's the README file:

PADRE - Copyright (C) 1994-1995 Matthew T. Stahl and W. Patrick Walters.  All
Rights Reserved.

PADRE - Population Analysis and Duplicate Removal

PADRE is a general purpose utility that can be used to analyse the results
of conformational searches, and to measure similarity and differences
between molecules.  The program will be made available for a number of
Unix platforms (Irix, Ultrix, Linux, more to come...).  Some of the
highlighted capabilities include: 

- molecular overlap based on sterics and electronics
- cluster analysis
- Tcl/Tk based dendogram viewer interface to RASMOL and other programs
- automatic removal of duplicates from a multi-conformer file
- RMS distance / torsional difference measurement
- automatic detection of topologically equivalent atoms (automorphisms)
- support for numerous input and output file types
- simple command line interface

Availability

PADRE is freeware and can be retreived from the Ohio Supercomputer Center
computational chemistry archive (www.ccl.net).

Installation

Retrieve the file padre_beta_(platform).tar.Z from www.ccl.net
using either ftp or a web browser.

ftp www.ccl.net
login: anonymous
password: your-e-mail-address
cd /pub/chemistry/software/UNIX/PADRE
binary
get padre_beta_(platform).tar.Z
quit

1.  uncompress padre_beta_(platform).tar.Z
2.  tar -xvf padre_beta_(platform).tar
3.  follow the instructions in the PADRE.DOC

-----------------------------------------------------------------------
   Matthew Stahl, Ph.D., Harvard University, [email-masked]
 Voice (617) 495-2654, Fax (617) 495-1823  "Illegitimi Non Carborundum"
-----------------------------------------------------------------------

"Reintegration complete," ZORAC advised.  "We're back in the universe
again ..."  An unusually long pause followed, "... but I don't know
which part.  We seem to have changed our position in space."  A
spherical display in the middle of the floor illuminated to show the
starfield surrounding the ship.

"Several large, artificial constructions are approaching us," ZORAC
announced after a short pause.  "The designs are not familiar, but they
are obviously the products of intelligence.  Implications: we have been
intercepted deliberately by a means unknown, for a purpose unknown, and
transferred to a place unknown by a form of intelligence unknown.
Apart from the unknowns, everything is obvious."
		-- James P. Hogan, "Giants Star"