From chemistry-request@server.ccl.net Sat May 12 07:41:23 2001 Received: from smtp2.jaring.my ([192.228.128.47]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4CBfMI25441 for ; Sat, 12 May 2001 07:41:22 -0400 Received: from vplaces.net (j108.ptl49.jaring.my [161.142.115.122]) by smtp2.jaring.my (8.10.1/8.10.1) with ESMTP id f4CBfJE18077 for ; Sat, 12 May 2001 19:41:20 +0800 (MYT) Message-ID: <3AFD21AC.DF85D496@vplaces.net> Date: Sat, 12 May 2001 19:42:36 +0800 From: rowyna X-Mailer: Mozilla 4.75 [en] (Win98; U) X-Accept-Language: en,pdf MIME-Version: 1.0 To: CCL Subject: decreasing .tout file Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear All, Following the instructions in the Autodock3 manual, I ran autodock a second time to obtain a ligand.tout file which I would view with gOpenMol. From a trajectory file of 168 MB , I obtained a ligand.tout file of 2.4GB. I would actually like obtain a ligand.tout file which is not that big since it's taking a lot of space in my machine. I would like to ask if I need to decrease the size of the trajectory file so that the ligand.tout file will be smaller as well? I would be grateful for your suggestions. Thank you in advance. Rowyna -- Surfing alone is history - find the future. http://www.vplaces.net/ - tomorrow's chat. Good Luck! Tagg your friends! http://www.vplaces.net/goodluck/ From chemistry-request@server.ccl.net Fri May 11 20:43:50 2001 Received: from Princeton.EDU ([128.112.129.120]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4C0hoI13275 for ; Fri, 11 May 2001 20:43:50 -0400 Received: from smtpserver1.Princeton.EDU (mail.Princeton.EDU [128.112.129.14]) by Princeton.EDU (8.9.3/8.9.3) with ESMTP id UAA08243 for ; Fri, 11 May 2001 20:43:50 -0400 (EDT) Received: from webmail (webmail.Princeton.EDU [128.112.128.102]) by smtpserver1.Princeton.EDU (8.9.3/8.9.3) with SMTP id UAA09556 for chemistry@ccl.net; Fri, 11 May 2001 20:43:50 -0400 (EDT) Date: Fri, 11 May 2001 20:43:50 -0400 (EDT) From: bgross@Princeton.EDU (Benjamin J Gross) To: chemistry@ccl.net Subject: installing autodock tools X-Mailer: Netscape Messenger Express 3.5.2 [Mozilla/4.75 [en] (X11; U; Linux 2.2.16-22 i686)] Message-ID: <3AFC8745.4D91@smtpserver2.Princeton.EDU> Hi everyone, Sorry if my question is trivial: I'm a linux/python/autodock newbie. I'm having some trouble getting autodock tools or Pmv to work. When I try to run the pmv script I get the following error: [bgross@bgross Pmv]$ pmv Traceback (innermost last): File "/home/bgross/tools/share/lib/python1.5/site-packages/Pmv/pmv", line 49, in ? import Pmv ImportError: No module named Pmv Has anyone solved anything similar? Thanks in advance. Ben