From owner-chemistry@ccl.net Mon Feb 22 16:28:00 2010 From: "Greg Warren greg,eyesopen.com" To: CCL Subject: CCL: Redocking with Fred docking tool Message-Id: <-41319-100222145451-22571-lph1d/9M5cpjiJA+e9QFsw/a\server.ccl.net> X-Original-From: Greg Warren Content-Language: en-US Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="us-ascii" Date: Mon, 22 Feb 2010 11:24:19 -0800 MIME-Version: 1.0 Sent to CCL by: Greg Warren [greg_+_eyesopen.com] Dear Vinod, Please check the user manual for FRED, specifically chapter 6 pages 43-70. = There are a number of examples of command lines starting from the simple t= o the complex on how to use FRED for redocking. Regards, Greg -----Original Message----- > From: owner-chemistry+greg=3D=3Deyesopen.com^^^ccl.net [mailto:owner-chemistr= y+greg=3D=3Deyesopen.com^^^ccl.net] On Behalf Of Vinod kasam vinod.kasam_-_uk= y.edu Sent: Wednesday, February 17, 2010 11:59 AM To: Greg Warren Subject: CCL: Redocking with Fred docking tool Sent to CCL by: "Vinod kasam" [vinod.kasam^^uky.edu] Dear all I am a new user of Fred docking tool.=20 Can somebody please tell me the syntax to perform redocking with Fred. I wa= nt to see the RMSD against a set of PDBs. I using Fred 2.2.5 version. Thanks in advance, -=3D This is automatically added to each message by the mailing script =3D-http://www.ccl.net/cgi-bin/ccl/send_ccl_messageSubscribe/Unsubscribe:=20Job: http://www.ccl.net/jobs=20http://www.ccl.net/spammers.txt