From chemistry-request -8 at 8- server.ccl.net Fri May 18 05:26:11 2001 Received: from gip.u-picardie.fr ([193.49.184.17]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f4I9QAI01832 for ; Fri, 18 May 2001 05:26:10 -0400 Received: from labo5 (labo5.sa.u-picardie.fr [195.83.150.83]) by gip.u-picardie.fr (8.9.3/8.9.3) with SMTP id LAA13901 for ; Fri, 18 May 2001 11:26:06 +0200 Date: Fri, 18 May 2001 11:26:06 +0200 Message-Id: <200105180926.LAA13901&$at$&gip.u-picardie.fr> X-Sender: fyd-phar-!at!-mailx.u-picardie.fr X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" To: chemistry-!at!-ccl.net From: Francois Dupradeau Subject: regression software under IRIX 6.5: SUMMARY Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id f4I9QBI01859 Few days ago, I asked the following question: >Dear all, >I look for regression software (non-linear regression; works under SGI IRIX >6.5) I found a lot of Web sites presenting regression software that works >under Windows and sometimes Linux but not on IRIX 6.5 (not 5.2...) >I know "gnuplot" can make some regressions and I already use it but I would >like to find some other ones. >Moreover, if it is free for academic labs, it is better ;-) >Thanks, Best regards, >Francois Thanks to all for your answers. Here are a summary of the answers, I received: _________________________________________________________________________ xmgrace http://plasma-gate.weizmann.ac.il/Grace/ Groeten, David. ________________________________________________________________________ Dr. David van der Spoel Biomedical center, Dept. of Biochemistry s-mail: Husargatan 3, Box 576, 75123 Uppsala, Sweden e-mail: spoel*- at -*xray.bmc.uu.se www: http://zorn.bmc.uu.se/~spoel phone: 46 18 471 4205 fax: 46 18 511 755 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Have you considered xmgr http://plasma-gate.weizmann.ac.il/Xmgr/doc/xmgr.html It does regression and is free. Kristy Mardis Pacific Lutheran University ________________________________________________________________________ Try the R project, a clone of S/Splus. It can do all sorts of regressions. Plus it's under the GPL. :-) -- -Geoff Hutchison Ratner/Marks Groups (847) 491-3295 Northwestern Chemistry http://www.chem.nwu.edu/ _______________________________________________________________________ Francois I have my own PLS code (C) for SAMPLS if you are interested? It's a simple command line interface. It includes crossvalidation and random permutation routines ... David _____________________________________________________ David Turner Synt:em Senior Modeling Scientist Parc Scientifique G.Besse Computational Drug Discovery 30000 Nimes email: dturner #at# syntem.com France Tel: Switchboard: +33 (0)4 66 04 86 66 Fax: +33 (0)4 66 04 86 67 Direct Line: +33 (0)4 66 04 22 85 ________________________________________________________________ Discover New Drugs, Discover Synt:em http://www.syntem.com __________________________________________________________________________ I use R for all my statistics http://www.r-project.org/ It runs on many different platforms (I've personally used it under both Linux and Irix, but there are also Mac and Windows versions), and it's a complete, modern, free (GPL) statistical computing environment. Some possible negative points: it may be overkill for some purposes; it does not have a graphical user interface; many modules are somewhat indigestible to the non-statistician. However, I've been very happy with it. The graphical capabilities are also good. cheers, Malcolm -- Malcolm Gillies Post-doctoral researcher Organic Chemistry, Dept of Chemistry, Technical University of Denmark ____________________________________________________________________________ _______________ Dear Francois, did you check out http://www.r-project.org/ ? I am not a user (yet) but the website invoked my curiosity. So please let me know you think it is useful for you and if you could compile it. Thanks, Best regards, Gerd PS: Of course I would also like to offer you help if you are interested in Schrödinger Software (www.schrodinger.com), because we are the european distributeur for govermental and commercial institutions. Personally I do mostly Jaguar development (parallelization, calculation of thermodynamical properties). -- . * www.anterio.com Gerd Räther - developer anteri o Augustaanlage 26 gerd- at -anterio.com * * D-68165 Mannheim +49 621 40041 -[t]33 -[f]40 ____________________________________________________________________________ ________________ You may want to look at http://www.csie.ntu.edu.tw/%7Ecjlin/libsvm R Ryszard Czerminski phone: (781)994-0479 ArQule, Inc. email:ryszard %-% at %-% arqule.com 19 Presidential Way http://www.arqule.com Woburn, MA 01801 fax: (781)994-0679 ____________________________________________________________________________ _______________ Hi, Xmgr or the newer derivative xmgrace are able to do this. I use both on linux but I don't think its a problem to compile it for irix (source code is freely available). In my opinion xmgr is better for plotting but xmgrace is better for doing mathmatical operations. Please have a look at: http://plasma-gate.weizmann.ac.il/Xmgr/ .There you will find both programs. Best regards, Bernd PS: Please summarize your anwsers. ____________________________________________________________________________ _______________ -- F.-Y. Dupradeau http://www.u-picardie.fr/UPIC/UPJV/recherche/labos/bpd/fyd.htm