From owner-chemistry@ccl.net Mon Feb 8 12:17:01 2010 From: "=?ISO-8859-15?Q?Horacio_P=E9rez-S=E1nchez?= horacio.sanchez:-:kit.edu" To: CCL Subject: CCL: software to create a pharmacophore Message-Id: <-41212-100208114904-31758-QO7nW/TN2E2pZaIukKysoQ##server.ccl.net> X-Original-From: =?ISO-8859-15?Q?Horacio_P=E9rez-S=E1nchez?= Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-15; format=flowed Date: Mon, 08 Feb 2010 17:18:08 +0100 MIME-Version: 1.0 Sent to CCL by: =?ISO-8859-15?Q?Horacio_P=E9rez-S=E1nchez?= [horacio.sanchez[A]kit.edu] There are several options like: - Molecular Operating Environment - Discovery Studio Apart from that I would recommend you Ligand Scout. It can even create pharmacophore models for MOE and DS, and it can perform also Virtual Screening. Its rather ease to use and user friendly. Good Luck Horacio Am 08/02/10 12:40, schrieb Alberto Pasamontes alberto.pasamontes===shirotafoods.com: > Sent to CCL by: "Alberto Pasamontes" [alberto.pasamontes(-)shirotafoods.com] > Dear Colleagues, > I'm looking for a software that allows me to create a pharmacophore from a PDB file (protein-ligand).Could you help me? > > Alberto> > > > -- ====================================================== Dr. Horacio Pérez-Sánchez Karlsruhe Institute of Technology Institut für Nanotechnologie, Building 640-Room 223 Hermann-von-Helmholtz-Platz 1 76344 Eggenstein-Leopoldshafen Germany Tel: + 49 724 782 6884 Fax: + 49 724 782 8282 horacio.sanchez|-|kit.edu http://www.kit.edu http://www.int.kit.edu/english/index.php http://www.fzk.de/biostruct ====================================================== (Message transmitted on 100% recycled electrons)