From chemistry-request@server.ccl.net Mon Sep 20 14:36:32 1999 Received: from euch4e.chem.emory.edu (euch4e.chem.emory.edu [170.140.59.12]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id OAA12646 for ; Mon, 20 Sep 1999 14:36:32 -0400 Received: (from dima@localhost) by euch4e.chem.emory.edu (AIX4.2/UCB 8.7/8.7) id OAA39208; Mon, 20 Sep 1999 14:29:58 -0400 (EDT) From: Dmitry Khoroshun Message-Id: <199909201829.OAA39208@euch4e.chem.emory.edu> Subject: jaguar To: tmehnert@physik.tu-muenchen.de Date: Mon, 20 Sep 1999 14:29:57 -0400 (EDT) Cc: chemistry@ccl.net X-Mailer: ELM [version 2.5 PL0b1] MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear Th. Mehnert! I am very interested in the comparison of jaguar with other programs you gave in your last letter. Is is possible for you to post the email addresses of the people whose replies you are giving? I would like to contact them directly; I am sure it would be of interest to many people on CCL. Sincerely, Dmitry Khoroshun dima@euch4e.chem.emory.edu From chemistry-request@server.ccl.net Tue Sep 21 04:51:46 1999 Received: from mail.AlAkhawayn.ma (alakhawayn.ma [193.194.63.82]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id EAA17045 for ; Tue, 21 Sep 1999 04:51:45 -0400 Received: from conceicao (conceicao.alakhawayn.ma [193.194.61.135]) by mail.AlAkhawayn.ma (8.9.0/8.9.0) with SMTP id IAA16469 for ; Tue, 21 Sep 1999 08:50:04 GMT Message-Id: <199909210850.IAA16469@mail.AlAkhawayn.ma> X-Sender: J.Conceicao@mail X-Mailer: QUALCOMM Windows Eudora Pro Version 4.0.2 Date: Tue, 21 Sep 1999 08:43:01 +0000 To: chemistry@ccl.net From: Jose Conceicao Subject: Comparison Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Hi CCLers A couple/few months ago, someone posted an email about comparing the speed of running Gaussian 98 on Unix and PC systems. To my recollection, computational time for various hardware configurations was also given. Would the kind Madam/Sir who posted this email (summary of results) please send a copy of this email to me once again. Thanks very much. Jo Dr. Jose J.B. Conceicao Assistant Professor Al Akhawayn University in Ifrane (AUI) School of Science & Engineering (SSE) B.P. 1904 Avenue Hassan II MOROCCO 53 000 Tel #: (212) 586-2143 Email:J.Conceicao@alakhawayn.ma http://www.alakhawayn.ma/~J.Conceicao/#top "Tough times require strong medicine" M.T. From chemistry-request@server.ccl.net Tue Sep 21 10:01:58 1999 Received: from eros.iqm.unicamp.br (eros.iqm.unicamp.br [143.106.51.200]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id KAA18950 for ; Tue, 21 Sep 1999 10:01:56 -0400 Received: (from hermes@localhost) by eros.iqm.unicamp.br (8.9.2/8.8.8) id KAA66346 for CHEMISTRY@ccl.net; Tue, 21 Sep 1999 10:57:58 -0300 (EST) (envelope-from hermes) Date: Tue, 21 Sep 1999 10:57:58 -0300 From: Hermes Fernandes de Souza To: CHEMISTRY@ccl.net Subject: Extended Huckel Message-ID: <19990921105758.A66223@eros.iqm.unicamp.br> Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii X-Mailer: Mutt 0.95.5i Hi CCLers, I am looking for programs extended huckel that be possible work with more than 1000 atoms non hydrogens. Does anybody know where I can get one? Thanks, Hermes From chemistry-request@server.ccl.net Tue Sep 21 06:29:02 1999 Received: from pobox.csc.fi (pobox.csc.fi [128.214.46.62]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id GAA17384 for ; Tue, 21 Sep 1999 06:29:01 -0400 Received: from isosirri (isosirri.csc.fi [193.166.1.218]) by pobox.csc.fi (8.9.3/8.9.3/CSC/Rtrs-1.22) with SMTP id NAA24487 for ; Tue, 21 Sep 1999 13:24:35 +0300 (EET DST) From: "Leif Laaksonen" To: Subject: ANNOUNCE: gOpenMol 1.3 Date: Tue, 21 Sep 1999 13:28:04 +0300 Message-ID: MIME-Version: 1.0 Content-Type: multipart/mixed; boundary="----=_NextPart_000_0031_01BF0435.229A2B50" X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook IMO, Build 9.0.2416 (9.0.2910.0) X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2314.1300 Importance: Normal This is a multi-part message in MIME format. ------=_NextPart_000_0031_01BF0435.229A2B50 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit SCARECROW Computing Group at the Center for Scientific Computing is proud to announce the release of a new version of gOpenMol, a program for the display and analysis of molecular structures. gOpenMol is distributed free of charge and includes source code. The current release supports Windows NT/95/98 and Intel Linux. The SGI release will be ready soon. New features in version 1.3: * All the discovered bugs in version 1.2 have been corrected. * Tcl and Tk versions 8.2 are now in use. * Coordinates can be exported as VRML models. So far only of the molecules. Cutplanes, isosurfaces and orbitals will be implemented later. * More line commands have got a graphical interface. * Improved facility to run/edit Tcl scripts. * Stereo pair display. * Possibility to add atom symbols to the display. * Possibility to edit light position and properties. * Filter program to convert a grid file from the GRID program into the format used by gOpenMol. * Filter program to convert an AutoDock electrostatic grid file into the format used by gOpenMol. * A tutorial written by Scott Anderson. * Commands that originally was written in C has been rewritten in Tcl to enable flexible extensions and correction. * A crude manual is available in the doc directory. For new versions please check the Windows Word file: http://laaksonen.csc.fi/gopenmol/docs/gOpenMol.pdf gOpenMol is available from: http://laaksonen.csc.fi/gopenmol/. Please feel free to mail any comments and questions to Leif.Laaksonen@csc.fi. Yours, -leif laaksonen ------=_NextPart_000_0031_01BF0435.229A2B50 Content-Type: text/x-vcard; name="Leif Laaksonen.vcf" Content-Transfer-Encoding: quoted-printable Content-Disposition: attachment; filename="Leif Laaksonen.vcf" BEGIN:VCARD VERSION:2.1 N:Laaksonen;Leif FN:Leif Laaksonen ORG:Center for Scientific Computing;FUNET TITLE:Network Information Services Manager NOTE:My personal Web page: http://laaksonen.csc.fi/ TEL;WORK;VOICE:+358 9 457 2378 TEL;WORK;FAX:+358 9 457 2302 ADR;WORK;ENCODING=3DQUOTED-PRINTABLE:;;Tekniikantie 15 a = D=3D0D=3D0AP.O.Box 405;Espoo;;FIN-02101;Finland LABEL;WORK;ENCODING=3DQUOTED-PRINTABLE:Tekniikantie 15 a = D=3D0D=3D0AP.O.Box 405=3D0D=3D0AEspoo FIN-02101=3D0D=3D0AFinland URL:http://laaksonen.csc.fi/ URL:http://www.csc.fi/ EMAIL;PREF;INTERNET:Leif.Laaksone@csc.fi REV:19990810T052204Z END:VCARD ------=_NextPart_000_0031_01BF0435.229A2B50--