From laaksone@csc.fi Tue Sep 2 01:21:34 1997 Received: from voxopm.minedu.fi for laaksone@csc.fi by www.ccl.net (8.8.3/950822.1) id AAA00200; Tue, 2 Sep 1997 00:56:13 -0400 (EDT) Received: from laaksonen.csc.fi (laaksonen.csc.fi [193.166.1.75]) by voxopm.minedu.fi (8.8.5/8.8.5/CSC/SGI-2.59) with SMTP id HAA08310 for ; Tue, 2 Sep 1997 07:56:13 +0300 (EET DST) Date: Tue, 2 Sep 1997 07:56:20 +0300 (GFT Daylight Time) From: Leif Laaksonen To: chemistry@www.ccl.net Subject: gOpenMol Message-ID: X-X-Sender: laaksone@voxopm.csc.fi MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL members, I can see that some of you have had problems downloading the gOpenMol program from my site due to slow connection to Europe or some other problem. To overcome at least one problem the various gOpenMol versions have also been placed in the CCL archives, with the kind help from Jan Labanowski. The gOpenMol stuff can now also be found in: ftp://www.ccl.net/pub/chemistry/software/UNIX/gopenmol You can still go through my Web page at: http://laaksonen.csc.fi/gopenmol/ which now has also have the link to the CCL archives as one download possibility. The bug reports, fixes and other added stuff will be reachable only through my own Web site. Regards, -leif laaksonen ------------------------------------------------------------------- Center for Scientific Computing | Phone: 358 9 4572378 P.O. Box 405 | Mobile: 358 400425203 FIN-02101 Espoo | Telefax: 358 9 4572302 FINLAND | Mail: Leif.Laaksonen@csc.fi -------- URL: http://laaksonen.csc.fi/leif.laaksonen.html --------- From Giulia.Caron@ict.unil.ch Tue Sep 2 03:21:36 1997 Received: from unilmta3.unil.ch for Giulia.Caron@ict.unil.ch by www.ccl.net (8.8.3/950822.1) id CAA01006; Tue, 2 Sep 1997 02:57:33 -0400 (EDT) Received: from cisun2000.unil.ch by unilmta3.unil.ch with SMTP inbound; Tue, 2 Sep 1997 08:56:59 +0200 Received: from pcbep5008b.unil.ch by cisun2000.unil.ch (SMI-8.6/Unil-Sol2-1.0e) id IAA14063; Tue, 2 Sep 1997 08:42:26 +0200 Message-Id: <3.0.1.32.19970902083815.006a2288@eliot.unil.ch> X-Sender: gcaron@eliot.unil.ch X-Mailer: Windows Eudora Pro Version 3.0.1 (32) Date: Tue, 02 Sep 1997 08:38:15 +0200 To: chemistry@www.ccl.net From: "Giulia Caron (la Perla di Losanna)" Subject: infos about GRID Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Dear CCLers, I would like to calculate GRID potentials on the SAS of molecules. I know that it is possible to calculate potential in a single point of the space, but can I calculate the potential on the whole surface in a single step? All information received will be summarized asap. Giulia From walter@came.sbg.ac.at Tue Sep 2 05:21:35 1997 Received: from Agnes.came.sbg.ac.at for walter@came.sbg.ac.at by www.ccl.net (8.8.3/950822.1) id EAA01572; Tue, 2 Sep 1997 04:24:37 -0400 (EDT) Received: from Agnes (localhost [127.0.0.1]) by Agnes.came.sbg.ac.at (950413.SGI.8.6.12/950213.SGI.AUTOCF) via SMTP id KAA12252 for ; Tue, 2 Sep 1997 10:24:02 +0200 Sender: walter@came.sbg.ac.at Message-ID: <340BCD22.41C6@came.sbg.ac.at> Date: Tue, 02 Sep 1997 10:24:02 +0200 From: Walter Koppensteiner Organization: Center for Applied Molecular Engineering X-Mailer: Mozilla 3.01SGoldC-SGI (X11; I; IRIX 6.3 IP32) MIME-Version: 1.0 To: CCL Subject: Non-redundant list of protein complexes Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi, does anybody have extracted a list of non-redundant protein complexes from the PDB. I want to analyse intermolecular interactions and need a representative dataset of 3D structures. The pdb_select list from embl only lists monomeric chains. Also a list of protein/dna(rna) complexes would be appreciated. Thanks in advance, Walter -- =============================================================== Walter Koppensteiner University of Salzburg Center of Applied Molecular Engineering Jakob Haringer Strasse 3 Phone: +43-662-8044-5794 A-5020 Salzburg, Austria Email: walter@came.sbg.ac.at =============================================================== From richard@tc.cornell.edu Tue Sep 2 10:21:39 1997 Received: from theory.tc.cornell.edu for richard@tc.cornell.edu by www.ccl.net (8.8.3/950822.1) id JAA03168; Tue, 2 Sep 1997 09:29:32 -0400 (EDT) Received: from ren.tc.cornell.edu (REN.TC.CORNELL.EDU [128.84.244.22]) by theory.tc.cornell.edu (8.8.4/8.8.3/CTC-1.0) with SMTP id JAA36716 for ; Tue, 2 Sep 1997 09:29:33 -0400 Sender: richard@TC.Cornell.EDU Message-ID: <340C14BE.41C6@tc.cornell.edu> Date: Tue, 02 Sep 1997 09:29:34 -0400 From: Richard Gillilan X-Mailer: Mozilla 2.02 (X11; I; IRIX 5.3 IP22) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: Re: CCL:Non-redundant list of protein complexes References: <340BCD22.41C6@came.sbg.ac.at> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Walter Koppensteiner wrote: > > Hi, > > does anybody have extracted a list of non-redundant protein > complexes from the PDB. P.A. Karplus has a clean subset of high resolution structures from the PDB. It may be part of the supplimentary material for his paper available online. If not, you can contact him directly. "Experimentally observed conformation dependent geometry and hidden strain in proteins" subm. to Protein Science March 1996. http://www.bio.cornell.edu/biochem/karplus/karplus.html Richard Gillilan Cornell Theory Center