From chemistry-request@server.ccl.net Mon Jul 3 05:55:31 2000 Received: from cmcind.pharm.uu.nl (cmcind.pharm.uu.nl [131.211.56.43]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id FAA16798 for ; Mon, 3 Jul 2000 05:55:31 -0400 Received: from cmcind (localhost [127.0.0.1]) by cmcind.pharm.uu.nl (980427.SGI.8.8.8/970903.SGI.AUTOCF) via ESMTP id LAA12754 for ; Mon, 3 Jul 2000 11:55:21 +0200 (MDT) Message-Id: <200007030955.LAA12754@cmcind.pharm.uu.nl> To: chemistry@ccl.net Reply-To: Malcolm Gillies Subject: OpenGL on Linux and Insight/Sybyl - any experiences? Date: Mon, 03 Jul 2000 11:55:21 +0200 From: Malcolm Gillies I'm interested in hearing about any experiences using Linux with an X server supporting OpenGL/GLX as a remote display for modelling programs such as MSI Insight or Tripos Sybyl. In particular, I'd like to hear if the following kind of setup is workable in practise: * Insight running on SGI * Linux 2.2.* kernel on x86 * Nvidia video card (GeForce 256/GeForce 2 GTS/Quadro) * Nvidia OpenGL Linux reference drivers and Xfree86 But I'm also interested in information on other video cards, drivers, or the new SGI Visual Workstations (VPro graphics) under Linux. If this sort of configuration is practical, then it could be a cheap way of expanding a modelling lab with extra workstations for light use by students, etc. cheers, Malcolm -- Malcolm Gillies PhD student, computational medicinal chemistry Dept Medicinal Chemistry, Faculty of Pharmacy, Utrecht University, The Netherlands From chemistry-request@server.ccl.net Mon Jul 3 08:31:45 2000 Received: from arianna.cineca.it (arianna.cineca.it [130.186.1.53]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id IAA18215 for ; Mon, 3 Jul 2000 08:31:44 -0400 Received: from cineca.it (pc-boschi.cineca.it [130.186.6.129]) by arianna.cineca.it (8.11.0.Beta1/8.11.0.Beta1/CINECA 4.0) with ESMTP id e63CVSF18808; Mon, 3 Jul 2000 14:31:28 +0200 (MET DST) Sender: abc0@arianna.cineca.it Message-ID: <39608747.8A7F4472@cineca.it> Date: Mon, 03 Jul 2000 14:29:59 +0200 From: Sigismondo Boschi X-Mailer: Mozilla 4.61 [en] (X11; I; Linux 2.2.12-20 i686) X-Accept-Language: it, en MIME-Version: 1.0 To: Malcolm Gillies CC: ccl Subject: Re: CCL:OpenGL on Linux and Insight/Sybyl - any experiences? References: <200007030955.LAA12754@cmcind.pharm.uu.nl> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear Malcolm, I have installed the glx module for the Matrox G400. It is a module in development, for Xfree 3.x You can find it and information about it at http://www.matroxusers.com/ It works quite fine interfacing MSI cerius2 (InsightII does not recognize it giving the error "Couldn't get initial visual in app_init_display" indeed! Xvision for windows does the same) running both on IBM rs6000 (SP) and Origin2000. The main lack is the "depth cueing". For the rest it works fine, very fast rendering atoms and isosurfaces, comparable with an SGI O2. The PC is a PentiumIII 450MHz, Linux Redhat 6.1, XFree86 3.3.5, matrox G400 single-head 16MB. Also other software runs fine: gaussview and gOpenMol for example. Checking now the site "matroxusers" I have found they have included the DRI driver (direct rendering interface) also for this board in the very new Xfree86 4.0.1. More information at http://www.xfree86.org and in particular http://www.xfree86.org/4.0.1/RELNOTES.html Actually I have not tried it: I have found it just now. I will let you know if in the next days I will be able to try it. Please, post the summary to CCL! Thanks Kind regards Sigismondo Malcolm Gillies wrote: > > I'm interested in hearing about any experiences using Linux with an > X server supporting OpenGL/GLX as a remote display for modelling > programs such as MSI Insight or Tripos Sybyl. > > In particular, I'd like to hear if the following kind of setup is > workable in practise: > > * Insight running on SGI > * Linux 2.2.* kernel on x86 > * Nvidia video card (GeForce 256/GeForce 2 GTS/Quadro) > * Nvidia OpenGL Linux reference drivers and Xfree86 > > But I'm also interested in information on other video cards, drivers, > or the new SGI Visual Workstations (VPro graphics) under Linux. > > If this sort of configuration is practical, then it could be a cheap way > of expanding a modelling lab with extra workstations for light use by > students, etc. > > cheers, > > Malcolm -- ------------------------------------------------------------------------- |Sigismondo Boschi, Ph.D. |tel: +39 051 6171559 | |CINECA (High Performance Systems) |fax: +39 051 6137273 - 6132198 | |via Magnanelli, 6/3 |e-mail: s.boschi@cineca.it | |40033 Casalecchio di Reno (BO) ITALY |WWW: http://www.cineca.it | ------------------------------------------------------------------------- From chemistry-request@server.ccl.net Mon Jul 3 11:03:54 2000 Received: from relay.uni-heidelberg.de (relay.uni-heidelberg.de [129.206.100.212]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id LAA18807 for ; Mon, 3 Jul 2000 11:03:53 -0400 Received: from websrv.urz.uni-heidelberg.de (websrv.urz.uni-heidelberg.de [129.206.100.144]) by relay.uni-heidelberg.de (8.9.3+Sun/8.9.3) with ESMTP id RAA02990 for ; Mon, 3 Jul 2000 17:03:41 +0200 (MET DST) Received: (from wwwrun@localhost) by websrv.urz.uni-heidelberg.de (8.9.3/8.9.3/SuSE Linux 8.9.3-0.1) id QAA11239; Mon, 3 Jul 2000 16:33:32 +0200 Date: Mon, 3 Jul 2000 16:33:32 +0200 Message-Id: <200007031433.QAA11239@websrv.urz.uni-heidelberg.de> From: achim.lienke@urz.uni-heidelberg.de To: chemistry@ccl.net Reply-To: achim.lienke@urz.uni-heidelberg.de MIME-Version: 1.0 Content-Type: text/plain Content-Transfer-Encoding: 8bit Sender: gd6@ix.urz.uni-heidelberg.de Subject: QSAR and Transition Metal Complexes Hi there, is anybody aware of attempts (published or not) to do QSAR on transition metal complexes or even their free ligands. I am especially interested in stability and (catalytic) reactivity. I will summarize (if I get answers) Achim From chemistry-request@server.ccl.net Mon Jul 3 11:22:25 2000 Received: from mail.wesleyan.edu (smtp.wesleyan.edu [129.133.1.61]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id LAA18922 for ; Mon, 3 Jul 2000 11:22:25 -0400 Received: from seahorse (seahorse.chem.wesleyan.edu [129.133.20.16]) by mail.wesleyan.edu (8.9.3/8.9.1) with ESMTP id LAA00155 for ; Mon, 3 Jul 2000 11:22:12 -0400 (EDT) Message-Id: <4.2.0.58.20000703111809.00a40220@mail.wesleyan.edu> X-Sender: yliu@mail.wesleyan.edu X-Mailer: QUALCOMM Windows Eudora Pro Version 4.2.0.58 Date: Mon, 03 Jul 2000 11:26:18 +0100 To: chemistry@ccl.net From: Yongxing Liu Subject: Reference Management Software Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed Dear CCLers, I know some programs for reference management ( e.g. Endote, Procite etc) on MAC or Windows. I am writing to ask if any one knows a similar program running under Linux/Unix working with StarOffice or WordPerfect which can handle formats like "Journal of Computational Chemistry". Thank you very much in advance! Sincerely, ------------------------------------- Yongxing Liu Department of Chemistry Wesleyan University Middletown CT 06459 Tel: 860-685-2777 -------------------------------------