CCL: NEWLEAD (Linux) uploaded to CCL Archives
- From: "Jan Labanowski" <janl:speakeasy.net>
- Subject: CCL: NEWLEAD (Linux) uploaded to CCL Archives
- Date: Fri, 19 May 2006 00:57:03 +0000
Sent to CCL by: "Jan Labanowski" [janl^_^speakeasy.net]
I would like to thank Vincenzo Tschinke for uploading the NEWLEAD
program to CCL Archives today. The program can be retrieved from
the following page:
http://server.ccl.net/cca/software/LINUX/newlead_linux/
> From the README file:
Vincenzo Tschinke and N. Claude Cohen
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.
Please upload materials to CCL Archives and share.
You can learn how, by visiting the page:
http://server.ccl.net/chemistry/aboutccl/supporting/index.shtml
Thank you again Vincenzo,
CCL Maintainer
Jan Labanowski