CCL: NEWLEAD package for Linux and MAC OS X in CCL Archives
- From: "Jan Labanowski" <janl*_*speakeasy.net>
- Subject: CCL: NEWLEAD package for Linux and MAC OS X in CCL
Archives
- Date: Fri, 15 Sep 2006 05:07:37 +0000
Sent to CCL by: "Jan Labanowski" [janl*|*speakeasy.net]
I would like to thank Vincenzo Tschinke for a precious contribution
to CCL Archives: the NEWLEAD package for Linux and Mac OS X (PPC):
NEWLEAD is a computer program for the automatic
generation of candidate structures. The input for the program
is a set of fragments in the three-dimensional orientation
corresponding to a given pharmacophore model. The treatment
consists in connecting the fragments with spacers assembled
from small chemical entities (atoms, chains or ring moieties).
The results are new structures containing the fragments in
the orientation defined in the input. The program offers
the opportunity of rapidly applying a pharmacophore model
in drug-design by generating automatically a set of chemical
sructures conforming to the model.
The package is available from:
http://server.ccl.net/cca/software/MAC/newlead_linux_and_mac_osx/
The manual can be read on-line too...
Thank you Vincenzo!
Jan Labanowski
CCL Manager
jkl _ ccl.net