From chemistry-request@server.ccl.net Tue Sep 21 23:50:50 1999 Received: from vulture.prod.itd.earthlink.net (vulture.prod.itd.earthlink.net [207.217.121.36]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id XAA22251 for ; Tue, 21 Sep 1999 23:50:45 -0400 Received: from lrz.de (1Cust148.tnt1.rancho-cucamonga.ca.da.uu.net [208.251.225.148]) by vulture.prod.itd.earthlink.net (8.9.3/8.9.3) with ESMTP id UAA26462 for ; Tue, 21 Sep 1999 20:46:04 -0700 (PDT) Received: (from eugene.leitl@localhost) by lrz.de (8.8.8/8.8.8) id UAA23280 for ; Tue, 21 Sep 1999 20:43:10 -0700 Resent-From: Eugene Leitl Resent-Message-ID: <14312.20556.997370.121922@lrz.de> Resent-Date: Tue, 21 Sep 1999 20:43:08 -0700 (PDT) Resent-To: Message-Id: <37E82199.83xxx9B87D7@u.arizona.edu> Organization: University of Arizona X-Mailer: Mozilla 4.61 [en] (X11; I; Linux 2.2.9-27mdksmp i686) X-Accept-Language: en MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Precedence: bulk From: To: beowulf@beowulf.gsfc.nasa.gov Subject: Beowulf + Chemistry Date: Wed, 22 Sep 1999 00:23:53 +0000 From: "Donald B. Kinghorn" Hi All, I'm giving a talk next week to the Chemistry dept. here at the University of Arizona titled: "High Performance Computational Chemistry using Parallel PC Clusters: an Introduction to Beowulf Clusters for Chemists" Mainly I want to stir up interest and let people know what's out there. If any of you are doing anything Chemistry related with your clusters (or know of anyone who is) I would appreciate it if you would send me email with a short description of what you're doing. Useful info. could include things like: Chemistry + Beowulf web pages Computational Chemistry software that's known to run on Beowulf clusters Application porting projects Research projects making use of Beowulf clusters Research groups currently building Beowulf clusters Configuration of your clusters etc.. ... I'll take whatever information I can find and build some web pages ... a Beowulf information web site but with a Chemistry bent. [I'll post the URL here when I get things set up] **You may want to send to me directly instead of the list ... I'll post a summary of replies. I'm basically new to Beowulf but, I did get a two node cluster set up and working for a week before I had to take it apart and set it up as individual workstations. I'm currently configuring the workstations in our lab for use as a COW and am building a couple more dual PII400 boxes to set up as a dedicated Beowulf (maybe 4 dual processor nodes). I'm also working on parallelizing my code for non-adiabatic, energy calculations using explicitly correlated gaussian wave functions. We will also be using the COW and Beowulf for generating potential energy surfaces using Gaussian98. I'm planning on setting up the NWChem suite of parallel applications also. Thanks for your time -Don +++++++++++++++++++++++++++++++++++++++++++ Dr. Donald B. Kinghorn Theoretical and Computational Chemistry Group University of Arizona Dept. of Chemistry Tucson AZ kinghorn@u.arizona.edu +++++++++++++++++++++++++++++++++++++++++++ P.S. I'm also looking for a job :-) From chemistry-request@server.ccl.net Wed Sep 22 07:22:14 1999 Received: from fen.bilkent.edu.tr (leo.fen.bilkent.edu.tr [139.179.97.92]) by server.ccl.net (8.8.7/8.8.7) with SMTP id HAA24756 for ; Wed, 22 Sep 1999 07:22:09 -0400 Received: from pinar.fen.bilkent.edu.tr by fen.bilkent.edu.tr (5.65c/1.4IDA) id AA11467; Wed, 22 Sep 1999 14:24:12 +0400 Received: by pinar.fen.bilkent.edu.tr (SMI-8.6/SMI-SVR4) id OAA09820; Wed, 22 Sep 1999 14:22:24 +0300 Date: Wed, 22 Sep 1999 11:22:24 +0000 (GMT) From: Ulrike Salzner To: ccl Subject: viewing running jobs with G98W Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear all, since I switched from G94 to G98, I can not view the outputs of running jobs anymore. WordPad always complains that the file is use by another application and can not be opened. This happened only occasionaly with G94 and I could see check on the jobs most of the time. Is there a way to change something in the setup of Wordpad or Gaussian to view running jobs without having to stop them? Thanks, Uli Salzner =================================================================== Dr. Ulrike Salzner Department of Chemistry Tel.: (312) 290-2122 Bilkent University Fax.: (312) 266-5097 06533 Bilkent, Ankara e-mail: salzner@fen.bilkent.edu.tr Turkey ==================================================================== From chemistry-request@server.ccl.net Wed Sep 22 10:00:04 1999 Received: from ccl.net (atlantis.ccl.net [192.148.249.4]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id KAA25431 for ; Wed, 22 Sep 1999 10:00:04 -0400 Received: from mailhub2.shef.ac.uk (mailhub2.shef.ac.uk [143.167.2.154]) by ccl.net (8.8.6/8.8.6/OSC 1.1) with ESMTP id JAA07550 for ; Wed, 22 Sep 1999 09:55:18 -0400 (EDT) From: d.turner@sheffield.ac.uk Received: from pc100182.shef.ac.uk ([143.167.100.182] helo=davets_pc) by mailhub2.shef.ac.uk with smtp (Exim 3.02 #2) id 11Tmrg-0003iC-00; Wed, 22 Sep 1999 14:55:20 +0100 To: chemistry@www.ccl.net Date: Wed, 22 Sep 1999 14:55:25 +0100 MIME-Version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Subject: EVA Descriptor for QSAR CC: qsar_society@unil.ch Priority: normal In-reply-to: <37E82199.83xxx9B87D7@u.arizona.edu> X-mailer: Pegasus Mail for Win32 (v3.01a) Message-Id: Hello all I am writing a review about EVA for the European Journal of Medicinal Chemistry and am asking for information about any related articles, papers etc. that are not yet in the public domain, i.e., that are in preparation or in press etc. A summary, view of the abstract or whatever you can give me would be useful. Any opinions, positive or negative, welcome. Thanks David Turner Dr David Turner Dept of Information Studies, Sheffield University Sheffield, S10 2TN, UK Tel. 0114 2 222 650 E-mail: D.Turner@sheffield.ac.uk Fax: 0114 2 780 300 From chemistry-request@server.ccl.net Wed Sep 22 10:22:46 1999 Received: from sunu450.rz.ruhr-uni-bochum.de (sunu450.rz.ruhr-uni-bochum.de [134.147.222.33]) by server.ccl.net (8.8.7/8.8.7) with SMTP id KAA25582 for ; Wed, 22 Sep 1999 10:22:42 -0400 From: Christoph.van.Wuellen@ruhr-uni-bochum.de Received: (qmail 13094 invoked from network); 22 Sep 1999 14:17:54 -0000 Received: from sgi249.rz.ruhr-uni-bochum.de (134.147.64.2) by mailhost.rz.ruhr-uni-bochum.de with SMTP; 22 Sep 1999 14:17:54 -0000 Received: (qmail 3462 invoked by uid 10283); 22 Sep 1999 14:17:43 -0000 Message-ID: <19990922141743.3461.qmail@sgi249.rz.ruhr-uni-bochum.de> Subject: G98 test suite To: chemistry@ccl.net Date: Wed, 22 Sep 1999 16:17:43 +0200 (MSZ) X-Mailer: ELM [version 2.4 PL24] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Is there an utility which actually checks all the .log files generated when one has run the Gaussian test jobs, e.g. by comparing against the reference outputs? With other packages, such utilities come along to verify that the installation is successful, but I found no such thing in g98. ---------------------------+------------------------------------------------ Christoph van Wullen | Fon (University): +49 234 700 6485 Theoretical Chemistry | Fax (University): +49 234 709 4109 Ruhr-Universitaet | Fon/Fax (private): +49 234 33 22 75 D-44780 Bochum, Germany | eMail: Christoph.van.Wuellen@Ruhr-Uni-Bochum.de ---------------------------+------------------------------------------------ From chemistry-request@server.ccl.net Wed Sep 22 11:35:55 1999 Received: from mail.ceniai.inf.cu (ceniai.net.cu [169.158.128.142]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id LAA25952 for ; Wed, 22 Sep 1999 11:28:55 -0400 Received: from int.ceniai.inf.cu (ceniai.inf.cu [169.158.128.138]) by mail.ceniai.inf.cu (8.9.3/8.9.3) with ESMTP id LAA16114 for ; Wed, 22 Sep 1999 11:21:44 GMT Received: (from uucp@localhost) by int.ceniai.inf.cu (8.9.3/8.9.3) with UUCP id LAA26501 for chemistry@ccl.net; Wed, 22 Sep 1999 11:23:28 -0400 (CDT) Received: from ceinpet.inf.cu ([192.168.1.188]) by hermes.ceinpet.inf.cu (8.8.7/8.8.7) with ESMTP id IAA00544 for ; Wed, 22 Sep 1999 08:27:41 -0400 Sender: ricardo@hermes.ceinpet.inf.cu Message-ID: <37E8CAA8.F404E67E@ceinpet.inf.cu> Date: Wed, 22 Sep 1999 08:25:12 -0400 From: Ricardo Grau Crespo Organization: CEINPET X-Mailer: Mozilla 4.51 [en] (X11; I; Linux 2.2.5-15 i686) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: pyridine in zeolites Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear all, Can anyone point me to references on computational studies of pyridine difussion or sorption in zeolites, preferably ZSM-5? Any suggestion would be appreciated. Thank you very much in advance, Ricardo Grau Crespo Catalysis Division Center for Petroleum Research Cuba From chemistry-request@server.ccl.net Wed Sep 22 13:12:32 1999 Received: from mailgw.cica.es (erika.cica.es [150.214.1.3]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id NAA26576 for ; Wed, 22 Sep 1999 13:12:26 -0400 Received: from asterix.cica.es (asterix.cica.es [150.214.1.8]) by mailgw.cica.es (8.9.1/8.9.3) with ESMTP id TAA22587; Wed, 22 Sep 1999 19:07:31 +0200 (MET DST) Received: from localhost (localhost [[UNIX: localhost]]) by asterix.cica.es (8.8.8/8.8.8) with ESMTP id TAA14893; Wed, 22 Sep 1999 19:07:30 +0200 (METDST) Date: Wed, 22 Sep 1999 19:07:30 +0200 (METDST) From: Rafael Rodriguez Pappalardo To: Christoph.van.Wuellen@ruhr-uni-bochum.de cc: chemistry@ccl.net Subject: Re: CCL:G98 test suite In-Reply-To: <19990922141743.3461.qmail@sgi249.rz.ruhr-uni-bochum.de> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Sir, in the test directory there are some rudimentary scripts: search.csh, searchlog.csh and diff-mfl which can be used for your purposes. Sincerely, -- Dr. Rafael R. Pappalardo Dept. Quimica Fisica, Fac. de Quimica, Univ. de Sevilla. 41012-Sevilla (SPAIN) e-mail: rafapa@cica.es On Wed, 22 Sep 1999 Christoph.van.Wuellen@ruhr-uni-bochum.de wrote: > Is there an utility which actually checks all the .log files generated > when one has run the Gaussian test jobs, e.g. by comparing against the > reference outputs? > > With other packages, such utilities come along to verify that the installation > is successful, but I found no such thing in g98. > > ---------------------------+------------------------------------------------ > Christoph van Wullen | Fon (University): +49 234 700 6485 > Theoretical Chemistry | Fax (University): +49 234 709 4109 > Ruhr-Universitaet | Fon/Fax (private): +49 234 33 22 75 > D-44780 Bochum, Germany | eMail: Christoph.van.Wuellen@Ruhr-Uni-Bochum.de > ---------------------------+------------------------------------------------ > > -= This is automatically added to each message by mailing script =- > CHEMISTRY@ccl.net -- To Everybody | CHEMISTRY-REQUEST@ccl.net -- To Admins > MAILSERV@ccl.net -- HELP CHEMISTRY or HELP SEARCH > CHEMISTRY-SEARCH@ccl.net -- archive search | Gopher: gopher.ccl.net 70 > Ftp: ftp.ccl.net | WWW: http://www.ccl.net/chemistry/ | Jan: jkl@ccl.net > > > > > > From chemistry-request@server.ccl.net Wed Sep 22 11:29:18 1999 Received: from relay1.scripps.edu (relay1.scripps.edu [137.131.200.29]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id LAA25954 for ; Wed, 22 Sep 1999 11:29:18 -0400 Received: from gamow.scripps.edu (gamow.scripps.edu [137.131.252.67]) by relay1.scripps.edu (8.9.3/TSRI-3.1.0r) with ESMTP id IAA15549 for ; Wed, 22 Sep 1999 08:22:34 -0700 (PDT) Received: (from case@localhost) by gamow.scripps.edu (8.9.1a/TSRI-2.8) id IAA514131 for CHEMISTRY@ccl.net; Wed, 22 Sep 1999 08:22:34 -0700 (PDT) Date: Wed, 22 Sep 1999 08:22:34 -0700 (PDT) From: David Case Message-Id: <199909221522.IAA514131@gamow.scripps.edu> To: CHEMISTRY@ccl.net Subject: ANNOUNCE: version 4 of Nucleic Acid Builder released ANNOUNCEMENT: version 4 of the NAB (Nucleic Acid Builder) molecular manipulation language is now available Thomas J. Macke and David A. Case We have developed an approach to the modeling of nucleic acids that is implemented as a computer language called NAB. The method was primarily designed to construct models of helical and non-helical nucleic acids from a few dozen to a few hundred nucleotides in size, and uses a combination of rigid body transformations and distance geometry to create candidate structures that match input criteria. The language is designed to provide a flexible way to described nucleic acid structures at several levels of resolution, and contains built-in implementation of the AMBER force field, a generalized Born model for solvation effects, and a link to the AVS visualization system. NAB is a computer language (specified through lex and yacc) that allows nucleic acid structures to be described in a hierarchical fashion, using a language similar to C or awk, but designed especially for the manipulation of molecular structures. We have applied NAB to duplex- and triplex- and tetraplex DNA, to RNA hairpins and pseudo-knots, to closed-circular DNA, and to models of the small subunit of the ribosome and of recombination sites. NAB contains connections to the Amber and YAMMP modeling programs and force fields. This means that NAB programs can run analysis (including minimization and molecular dynamics simulations) using either the all-atom force fields from Amber or the reduced representation nucleic acids models >from YAMMP. The generalized Born solvent model is also included. This language may also be useful for other molecular modelling tasks, and a protein library is included in the distribution. NAB can also be used as a general-purpose language for writing programs that deal with three- dimensional molecular structures. New features in version 4: -- (initial) support for low-resolution nucleic acid modeling -- better distance geometry performance -- better error checking and debugging facilities -- expanded molecular mechanics options, including generalized Born terms NAB is distributed as source code via anonymous ftp. It runs on many flavors of UNIX (IRIX, Linux, Solaris, HP-UX, Digital UNIX) and on Windows 95/98/NT. Details at: http://www.scripps.edu/case. FTP site: ftp://ftp.scripps.edu/pub/macke/nab-4.0.tar.gz ================================================================== David A. Case | e-mail: case@scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | WWW: La Jolla CA 92037 USA | http://www.scripps.edu/case ================================================================== From chemistry-request@server.ccl.net Wed Sep 22 12:55:08 1999 Received: from ccshst09.cs.uoguelph.ca (ccshst09.cs.uoguelph.ca [131.104.96.18]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA26465 for ; Wed, 22 Sep 1999 12:55:08 -0400 Received: from ccshst01 (wtian@ccshst01.cs.uoguelph.ca [131.104.96.81] (may be forged)) by ccshst09.cs.uoguelph.ca (8.8.6 (PHNE_17135)/8.8.6) with SMTP id MAA03106; Wed, 22 Sep 1999 12:50:23 -0400 (EDT) Date: Wed, 22 Sep 1999 12:50:22 -0400 (EDT) From: WeiQuan Tian X-Sender: wtian@ccshst01 To: CHEMISTRY@ccl.net cc: bernd@rs5.thch.uni-bonn.de Subject: Summary of DFT on NLO Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Daer All: There seems not too many works on this topics coming out. Following is the summaer of the reply, thanks to Dr. Robert J. Doerksen in Berkeley, Prof. Bartlett in Gainsville and my friend in Gainsville for their reply. Reply 1. From Dr. Robert J. Doerksen: You might try writing to perera@qtp.ufl.edu (Ajith Perera), a postdoc with Bartlett, but I think the basis answer is that any DFT work they have done is either unoriginal (using someone else's code) or is not yet being distributed to others. Reply 2. From Porf. Rod Bartlett: Thanks for your interst. We haven't published anything yet, but we're doing something similar to Baerends, but with our new potentials. Until now, perhaps only ADF handles such calculations. Wei Quan Tian Department of Chemistry and Biochemistry University of Guelph Guelph ON Canada N1G 2W1 From chemistry-request@server.ccl.net Wed Sep 22 12:38:46 1999 Received: from brook.tfe.gatech.edu (brook.tfe.gatech.edu [130.207.144.106]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA26391 for ; Wed, 22 Sep 1999 12:38:46 -0400 Received: (from hai@localhost) by brook.tfe.gatech.edu (980427.SGI.8.8.8/970903.SGI.AUTOCF) id MAA01652 for CHEMISTRY@ccl.net; Wed, 22 Sep 1999 12:30:05 -0400 (EDT) From: "Hai Dong" Message-Id: <9909221230.ZM1651@brook.tfe.gatech.edu> Date: Wed, 22 Sep 1999 12:30:05 -0400 X-Mailer: Z-Mail (3.2.3 08feb96 MediaMail) To: CHEMISTRY@ccl.net Subject: CCL: united item approach in MSI/Biosym Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Dear All, Does anyone know how to implement united item approach in MSI/Biosym software? Please give me instructions on how to use it. Many thanks! Hai hai@brook.tfe.gatech.edu From chemistry-request@server.ccl.net Wed Sep 22 12:11:40 1999 Received: from bacchus.pc1.uni-duesseldorf.de (root@bacchus.pc1.uni-duesseldorf.de [134.99.152.11]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id MAA26230 for ; Wed, 22 Sep 1999 12:11:37 -0400 Received: from bacchus.pc1.uni-duesseldorf.de (jochen@localhost [127.0.0.1]) by bacchus.pc1.uni-duesseldorf.de (8.8.7/8.8.7) with SMTP id SAA09905 for ; Wed, 22 Sep 1999 18:06:39 +0200 From: Jochen Reply-To: jochen@pc1.uni-duesseldorf.de Organization: Heinrich-Heine-Universität To: CCL Subject: Summary: non-linear least squares Date: Wed, 22 Sep 1999 17:36:23 +0200 X-Mailer: KMail [version 1.0.28] Content-Type: text/plain MIME-Version: 1.0 Message-Id: <99092218063807.08757@bacchus.pc1.uni-duesseldorf.de> Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id MAA26231 Dear All, last week I asked: > does anybody know of good OpenSource routines to perform unconstraint > non-linear least squares fits, preferably in C++; C or FORTRAN are ok as > well, though. > Best would be a storage conserving implementation. > Usage of BLAS would be nice, but I could probably change it accordingly > by myself. > I know of MINPACK codes lmstr and lmdif, nl2sol from TOMS and LINALG > from CEPHES. Can anybody comment on these ? > Does anybody know of new publications of any such algorithms ? The results were references to netlib, Numerical recipes, Mathcad. Also Konrad Hinsen referred me to his promising Python Scientific Library at http://starship.python.net/crew/hinsen/scientific.html . Well, Numerical recipes and mathcad are definetly not worth trying in my case (I actually used the NR code some years ago on smaller problems). I don't know ether MathCad can be called from outside programs at all ? The codes from netlib are cited in my original question already. I decided not to use Konrads library because I don't wanna add another language to the project, but I will definetly keep it in mind for other problems. So I end up to use dn2f from the PORT-3 library, a successor of the nl2sol subroutine from TOMS, interfacing C++ <-> FORTRAN using cfortran.h. Thank you all for replying, -- Jochen Heinrich-Heine-Universität, Institut für Physikalische Chemie I Universitätsstr. 1, Geb. 26.43.02.29, 40225 Düsseldorf, Germany phone 02118113681 fax 02118115195 -- www-public.rz.uni-duesseldorf.de/~jochen Jochen@Uni-Duesseldorf.de -- Jochen.Kuepper@FernUni-Hagen.de -- Kuepper@ACM.org From chemistry-request@server.ccl.net Wed Sep 22 19:04:07 1999 Received: from canter-n-siegel.schrodinger.com (canter-n-siegel.schrodinger.com [192.156.98.248]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id TAA28619 for ; Wed, 22 Sep 1999 19:04:07 -0400 Received: (from info@localhost) by canter-n-siegel.schrodinger.com (8.8.5/8.8.5) id PAA05367 for chemistry@ccl.net; Wed, 22 Sep 1999 15:59:20 -0700 From: Schrodinger Info account Message-Id: <199909222259.PAA05367@canter-n-siegel.schrodinger.com> Subject: Announcement: Schrodinger to Host Introductory Workshops at Northwestern Univ. To: chemistry@ccl.net Date: Wed, 22 Sep 1999 15:59:20 -0700 (PDT) X-Mailer: ELM [version 2.5 PL0b2] MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Jaguar and MacroModel Introductory Workshops Providing tools for scientists in industry, government, and academia in the areas of life sciences, material sciences, and fundamental research, Schrödinger, Inc. is hosting Jaguar and MacroModel Introductory Workshops, to demonstrate to novice users how Jaguar and MacroModel are used in real-world applications. Where: Northwestern University, Evanston, IL Dates: Maestro and MacroModel Tuesday, October 19, 1999 Jaguar Wednesday, October 20, 1999 Registration Deadline: October 15, 1999 Lecture topics will include: Applications to drug discovery Applications to materials research Helpful hints and "tricks-of-the trade" to enhance productivity New features in Jaguar 4.0 and MacroModel 7.0 New unified graphical interface If you have any questions or comments, please see our website at http://www.schrodinger.com/workshop.html or contact Leo Brown (email: leobrown@schrodinger.com, phone: +1 630 752-9047). From chemistry-request@server.ccl.net Wed Sep 22 20:49:54 1999 Received: from mail01-oak.pilot.net (mail-oak-1.pilot.net [198.232.147.16]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id UAA28999 for ; Wed, 22 Sep 1999 20:49:54 -0400 Received: from artemis.chiron.com (unknown-46-3.chiron.com [206.189.46.3] (may be forged)) by mail01-oak.pilot.net with SMTP id RAA03096 for ; Wed, 22 Sep 1999 17:43:54 -0700 (PDT) Received: from hermes.chiron.com by artemis.chiron.com (SMI-8.6/SMI-SVR4) id RAA02756; Wed, 22 Sep 1999 17:58:39 -0700 Received: from electra by hermes.chiron.com (SMI-8.6/SMI-SVR4) id RAA13668; Wed, 22 Sep 1999 17:45:07 -0700 Received: (from martine@localhost) by electra (980427.SGI.8.8.8/950213.SGI.AUTOCF) id RAA18138; Wed, 22 Sep 1999 17:42:43 -0700 (PDT) From: Eric Martin MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Message-ID: <14313.30595.676297.987069@gargle.gargle.HOWL> Date: Wed, 22 Sep 1999 17:42:43 -0700 (PDT) To: CHEMISTRY@ccl.net Subject: CCL:Postscript editor summary X-Mailer: VM 6.72 under Emacs 19.34.1 Dear CCL, Here is a summary of answers regarding editing postscript files on NT. Thank you Ivan Basic, Bruce Luxon, Kevin McConnell, and Markus Wagener. Two commercial solutions were Adobe Illustrator and Coreldraw. I tried a co-worker's copy of Adobe Illustrator, which seemed to work fine. However, it is quite expensive. Markus Wagener suggested shareware program pstoedit, which works in conjunction with ghostscript. It seemed to work well, but the file types it creates are not the most useful to me. While browsing the pstoedit and ghostscript sites, I also came across Mayura Draw, a shareware drawing program that can take .ai and .wmf files as input. Postscript files can be converted to .ai files with shareware utility ps2ai. Ps2ai can be used directly with ghostscript, or supposedly can be patched into pstoedit and gsview. I was unsuccessful in the latter, but the former worked fine. I used this combination of ps2ai with Mayura Draw to solve my problem. (MayuraDraw used to be called pageDraw. PageDraw might have been the "pgDraw" mentioned in the CCL archives, that I had been unable to locate.) Some useful URLs are: http://www.mayura.com/ http://www.mayura.com/ps2ai.htm http://www.geocities.com/SiliconValley/5682/postscript.html http://www.geocities.com/SiliconValley/Network/1958/importps/ http://www.cs.wisc.edu/~ghost/index.html http://www.geocities.com/SiliconValley/Network/1958/pstoedit/ Cheers, Eric _____________________________________________________________________________ Original post: I used to have a Mac, where I could edit postscript files either with a program called "tailor", or a Freehand xtra called "PS Editlink". Now I have an IBM running NT. In the CCL archives, I found mention of the pgdraw program, but I haven't found the program. Is there a postscript editor for NT? Thanks. _____________________________________________________________________________ one solution might be pstoedit (http://www.geocities.com/SiliconValley/Network/1958/pstoedit). It is not a ps-editor, but with it you can convert ps-files into a number of different file formats like windows meta file etc. pstoedit is based on ghostscript, a very useful ps previewer that you need to install, too. Cheers, Markus -- ------------------------------------------------------------------ Dr. Markus Wagener NV Organon MDI-CMC RK2330 phone: +31-412-661380 P.O. Box 20 FAX: +31-412-662539 5340 BH Oss Email: m.wagener@organon.oss.akzonobel.nl The Netherlands ------------------------------------------------------------------ From: "Ivan Basic" To: martine Subject: Re: CCL:Postscript editor Date: Tue, 7 Sep 1999 09:52:12 +0200 From: Eric Martin Date sent: Tue, 7 Sep 1999 08:31:18 -0700 (PDT) To: CHEMISTRY@ccl.net Subject: CCL:Postscript editor Hello Eric, it is possible to edit postscript files with Coreldraw. I have used the version 8.0 with success. The only limitation is that you must have single pages only. The files after saving are much larger. If you find other programs I would be grateful to you if you can send me an e-mail. Dr Ivan Basic Rudjer Boskovic Institute Bijenicka 54 HR-10001 Zagreb Croatia _____________________________________________________________________________ From: "Bruce A. Luxon" Sender: bruce@nmr.utmb.edu To: Eric Martin Subject: Re: CCL:Postscript editor Date: Tue, 07 Sep 1999 11:31:05 -0500 Eric, Adobe Illustrator is excellent for this purpose but expensive. Bruc Luxon _____________________________________________________________________________ From: Kevin McConnell To: Eric Martin Subject: Re: CCL:Postscript editor Date: Mon, 13 Sep 1999 10:21:42 -0400 Hi Eric, Adobe illustrator (AI) will allow you to read in postscript and edit each element of the postscript file. The current version of AI 8.0 on the mac and pc (95/98/NT) will read in the postscript file directly. AI 5.0 for unix and windows versions bellow 7.0(I also think mac version bellow 7.0) requires you to convert the file from .ps to .ai before it can be read in. This can be done using ghostscript (ps2ai.ps). Cheers Kevin **************************************************************** Kevin McConnell Phone: (860) 685 - 3214 Wesleyan University Fax: (860) 685 - 2211 Molecular Biophysics Program Middletown CT. 06459 http://linus.chem.wesleyan.edu/~kevin ***************************************************************** -- Eric Martin martine@chiron.com 4560 Horton St., Emeryville, CA 94608 (510)923-3306, FAX (510)923-3360