From chemistry-request@ccl.net Fri Jul 30 07:44:06 2004 Received: from prserv.net (asmtp2.prserv.net [32.97.166.52]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i6UCi5GO032366 for ; Fri, 30 Jul 2004 07:44:05 -0500 Received: from attglobal.net (dhcp065-026-183-145.indy.rr.com[65.26.183.145]) by prserv.net (asmtp2) with SMTP id <2004073012511225205kokcte> (Authid: usinet.jmmckel); Fri, 30 Jul 2004 12:51:13 +0000 Message-ID: <410A02C0.1423139[at]attglobal.net> Date: Fri, 30 Jul 2004 09:11:44 +0100 From: john Reply-To: jmmckel[at]attglobal.net X-Mailer: Mozilla 4.51 [en]C-CCK-MCD (WinNT; I) X-Accept-Language: en MIME-Version: 1.0 To: Jim Pfaendtner CC: chemistry[at]ccl.net Subject: Re: CCL:review of available quantum software packages References: <1091128614.3194.17.camel[at]chief.chem-eng.northwestern.edu> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=3.3 required=7.5 tests=DATE_IN_PAST_03_06, RCVD_IN_DYNABLOCK,RCVD_IN_SORBS autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Checkout LINUX4CHEMISTRY [google]. There is a very large listing, as well as links to other compilations. John McKelvey Jim Pfaendtner wrote: > Does anyone know of a website, book or article which would give a > list/review of available electronic structure software packages > (commercial and open source)? > > thanks! > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: line > and send your message to: CHEMISTRY[at]ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST[at]ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your mail is bouncing from CCL.NET domain send it to the maintainer: > Jan Labanowski, jlabanow[at]nd.edu (read about it on CCL Home Page) > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ From chemistry-request@ccl.net Fri Jul 30 14:48:09 2004 Received: from prserv.net (asmtp2.prserv.net [32.97.166.52]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i6UJm2qv014704 for ; Fri, 30 Jul 2004 14:48:04 -0500 Received: from attglobal.net (dhcp065-026-183-145.indy.rr.com[65.26.183.145]) by prserv.net (asmtp2) with SMTP id <2004073019550725205ommm3e> (Authid: usinet.jmmckel); Fri, 30 Jul 2004 19:55:07 +0000 Message-ID: <410A661C.286A0BE0$at$attglobal.net> Date: Fri, 30 Jul 2004 16:15:40 +0100 From: john Reply-To: jmmckel$at$attglobal.net X-Mailer: Mozilla 4.51 [en]C-CCK-MCD (WinNT; I) X-Accept-Language: en MIME-Version: 1.0 To: chemistry$at$ccl.net Subject: F95 to f90 converter Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=3.3 required=7.5 tests=DATE_IN_PAST_03_06, RCVD_IN_DYNABLOCK,RCVD_IN_SORBS autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Folks, I have a small f95 code given to me, but only f77/f90 compilers for both Linux and Windows. There is a free g95 compiler out there that _almost_ compiles the code I have... For purposes of interfacing this code with my existing f77/f90 code at the moment I prefer to convert the code to f77/f90... I've seen f77->f90, and maybe f90->f95, but not the reverse... Any suggestions would be most appreciated.. John McKelvey From chemistry-request@ccl.net Fri Jul 30 18:51:18 2004 Received: from sandmail01.sd.accelrys.com (fw1.sd.accelrys.com [209.120.169.30]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i6UNpHqv025612 for ; Fri, 30 Jul 2004 18:51:17 -0500 To: chminf-l/at/listserv.indiana.edu, chemistry/at/server.ccl.net, qsar_society/at/accelrys.com Subject: EuroQSAR 2004 - technical program details posted MIME-Version: 1.0 X-Mailer: Lotus Notes Release 6.5.1 January 21, 2004 Message-ID: From: Osman F Guner Date: Fri, 30 Jul 2004 16:57:59 -0700 X-MIMETrack: Serialize by Router on sandmail01/Server/Accelrys(Release 6.0.3|September 26, 2003) at 07/30/2004 04:58:27 PM, Serialize complete at 07/30/2004 04:58:27 PM Content-Type: multipart/alternative; boundary="=_alternative 0083A71188256EE1_=" X-Spam-Status: No, hits=0.6 required=7.5 tests=FVGT_s_OBFU_Q1,HTML_MESSAGE, MK_BAD_HTML_04 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net This is a multipart message in MIME format. --=_alternative 0083A71188256EE1_= Content-Type: text/plain; charset="US-ASCII" Reminder: 40 days left for the 15th European Symposium on QSAR and Molecular Modelling -- Istanbul, Turkey, 5-10 September 2004 The technical program details and full list of posters are now accessible at the conference Web site (http://www.euro-qsar2004.org/). The conference starts with celebration of 40th anniversary of QSAR, followed by a lecture by Prof. Corwin Hansch. Technical program includes 38 oral presentations and 287 posters. Even though this is a European event, it is becoming a truly world-wide event. As of mid- July, 326 delegates have already registered for this meeting, representing 41 countries. Participants joining from outside of Europe include delegates from Australia, Brazil, Canada, India, Israel, Japan, Kryggyzstan, Pakistan, Russia, Singapore, South Korea, Thailand, Tunusia, and USA. We anticipate over 500 delegates. If you are planning to attend, we encourage you to make your hotel registration as soon as possible (as the hotels close to the conference site are starting to fill up). You can register for the conference, as well as for the hotels through he conference Web site. Great conference, great science, and great venue... We are looking forward to meeting with you all at Istanbul. Osman (on behalf of the Organizing Committee) --=_alternative 0083A71188256EE1_= Content-Type: text/html; charset="US-ASCII"
Reminder:  40 days left for the 15th European Symposium on QSAR and Molecular Modelling -- Istanbul, Turkey, 5-10 September 2004

The technical program details and full list of posters are now accessible at the conference Web site (http://www.euro-qsar2004.org/).  

The conference starts with celebration of 40th anniversary of QSAR, followed by a lecture by Prof. Corwin Hansch.  Technical program includes 38 oral presentations and 287 posters.

Even though this is a European event, it is becoming a truly world-wide event.  As of mid- July, 326 delegates have already registered for this meeting, representing 41 countries.  Participants joining from outside of Europe include delegates from Australia, Brazil, Canada, India, Israel, Japan, Kryggyzstan, Pakistan, Russia, Singapore, South Korea, Thailand, Tunusia, and USA.  We anticipate over 500 delegates.  If you are planning to attend, we encourage you to make your hotel registration as soon as possible (as the hotels close to the conference site are starting to fill up).  You can register for the conference, as well as for the hotels through he conference Web site.

Great conference, great science, and great venue... We are looking forward to meeting with you all at Istanbul.

Osman (on behalf of the Organizing Committee) --=_alternative 0083A71188256EE1_=--