From s.m.todd@chem.hull.ac.uk Wed Apr 22 04:26:13 1998 Received: from mailhub3.hull.ac.uk for s.m.todd@chem.hull.ac.uk by www.ccl.net (8.8.3/950822.1) id EAA22575; Wed, 22 Apr 1998 04:09:29 -0400 (EDT) Received: from humus.ucc.hull.ac.uk by puccini.ucc.hull.ac.uk; Wed, 22 Apr 1998 09:09:24 +0100 Received: from stevie-t-s-pc.hull.ac.uk [150.237.108.105] by humus.ucc.hull.ac.uk with esmtp (Exim 1.60 #1) id 0yRuap-0007mV-00; Wed, 22 Apr 1998 09:09:23 +0100 Message-ID: <353DA5C3.DF0A1016@chem.hull.ac.uk> Date: Wed, 22 Apr 1998 09:09:39 +0100 From: Vagster X-Mailer: Mozilla 4.01 [en] (Win95; I) MIME-Version: 1.0 To: CHEMISTRY@www.ccl.net Subject: another book request... TCl this time X-Priority: 3 (Normal) References: <199804212114.QAA12501@tw515a.chem.mu.edu> <9804211808.ZM24414@still3.chem.columbia.edu> Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hello all I was wondering if anyone out there could recommend a good book on TCl as I'm just trying to learn the language. Cheers Steve mail to : S.M.Todd@chem.hull.ac.uk web-site: http://www.hull.ac.uk/php/chpsmt/ From rachelle@odo.niehs.nih.gov Wed Apr 22 10:26:15 1998 Received: from odo.niehs.nih.gov for rachelle@odo.niehs.nih.gov by www.ccl.net (8.8.3/950822.1) id KAA24460; Wed, 22 Apr 1998 10:05:55 -0400 (EDT) Received: from odo (localhost [127.0.0.1]) by odo.niehs.nih.gov (950413.SGI.8.6.12/950213.SGI.AUTOCF) via SMTP id KAA25582 for ; Wed, 22 Apr 1998 10:05:22 -0400 Sender: rachelle@odo.niehs.nih.gov Message-ID: <353DF922.4487@odo.niehs.nih.gov> Date: Wed, 22 Apr 1998 10:05:22 -0400 From: rachelle bienstock Organization: NIH/NIEHS X-Mailer: Mozilla 3.01SGoldC-SGI (X11; I; IRIX64 6.4 IP30) MIME-Version: 1.0 To: chemistry@www.ccl.net Subject: Dock 4.0 compilation Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi- I am trying to compile Dock 4.0 on an SGI Octane running Irix 6.4 and have encountered the following error in the compilation. f77 -O2 -c mol2sdf.f "elements.h", line 135: error(2008): too many lines in statement + 257.00000, ! 100 FM Fermiuim "elements.h", line 134: error(2147): expected a constant + 252.00000, ! 99 ES Einsteinium ^ "elements.h", line 134: error(2112): expected a "/" + 252.00000, ! 99 ES Einsteinium ^ 3 errors detected in the compilation of "mol2sdf.f". *** Error code 2 (bu21) *** Error code 1 (bu21) Does anyone have any suggestions or recommendations, or has this happened to anyone else? Thanks, Rachelle -- ******************************* Dr. Rachelle J. Bienstock Molecular Modeler and Computational Chemist NIH/NIEHS 111 T.W. Alexander Drive P.O. Box 12233 MD F0-01 Research Triangle Park, NC 27709 Tel.: (919) 541-3397 e-mail: rachelle@picard.niehs.nih.gov or rachelle@odo.niehs.nih.gov ******************************** From gaussian.com!moses@lorentzian.com Wed Apr 22 11:26:28 1998 Received: from relay3.UU.NET for gaussian.com!moses@lorentzian.com by www.ccl.net (8.8.3/950822.1) id LAA25253; Wed, 22 Apr 1998 11:22:56 -0400 (EDT) Received: from uucp6.UU.NET by relay3.UU.NET with SMTP (peer crosschecked as: uucp6.UU.NET [192.48.96.37]) id QQemfl06070; Wed, 22 Apr 1998 11:22:54 -0400 (EDT) Message-Id: Received: from m10.UUCP by uucp6.UU.NET with UUCP/RMAIL ; Wed, 22 Apr 1998 11:22:57 -0400 Received: by m10.lorentzian.com; Wed, 22 Apr 1998 11:10:16 -0400 Received: by mousse.gaussian.com; Wed, 22 Apr 1998 09:39:22 -0500 From: gaussian.com!moses@lorentzian.com (David Moses) Subject: Japanese version of "Exploring Chemistry" To: CHEMISTRY@www.ccl.net Date: Wed, 22 Apr 1998 09:39:22 -0500 (EST) X-Mailer: ELM [version 2.4 PL24] MIME-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit Gaussian, Inc. is pleased to announce the availability of the Japanese Language version of the popular textbook, "Exploring Chemistry with Electronic Structure Methods", by James B. Foresman and AEleen Frisch. The translation to Japanese was done by Dr. Ken Tasaki. Published by Gaussian, Inc. 354 pages ISBN 0-9636769-8-9 For more information on pricing or ordering, please contact us by telephone, fax, email, or by visiting our website. *------------------------*------------------------*-----------------------* | David J. Moses, Ph.D. | Carnegie Office Park | info@gaussian.com | | Vice President, C.O.O. | Building Six | 412-279-6700 (Voice) | | Gaussian, Inc. | Pittsburgh, PA 15106 | 412-279-2118 (FAX) | *------------------------*------------------------*-----------------------* | Be sure to visit our Website at http://www.gaussian.com | *------------------------*------------------------*-----------------------* From arno@rcf.usc.edu Wed Apr 22 14:26:16 1998 Received: from almaak.usc.edu for arno@rcf.usc.edu by www.ccl.net (8.8.3/950822.1) id NAA26330; Wed, 22 Apr 1998 13:55:43 -0400 (EDT) Received: from localhost (arno@localhost) by almaak.usc.edu (8.8.8/8.8.8/usc) with SMTP id KAA22973; Wed, 22 Apr 1998 10:55:34 -0700 (PDT) Date: Wed, 22 Apr 1998 10:55:34 -0700 (PDT) From: Arno Papazyan To: rachelle bienstock cc: chemistry@www.ccl.net Subject: Re: CCL:Dock 4.0 compilation In-Reply-To: <353DF922.4487@odo.niehs.nih.gov> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Sounds like there are too many continuation lines (the ones that have "+"s in the 6th column) for the compiler's taste. Unless the compiler gives you the option of increasing that limit, you'll have to break the statement into separate pieces. ---------------------------------- Arno Papazyan Department of Chemistry University of Southern California Los Angeles, CA 90089 Phone: (213)740-7671 e-mail: arno@usc.edu http://apriori.usc.edu/arno ----------------------------------- On Wed, 22 Apr 1998, rachelle bienstock wrote: > Hi- > > I am trying to compile Dock 4.0 on an SGI Octane running Irix 6.4 > and have encountered the following error in the compilation. > > f77 -O2 -c mol2sdf.f > "elements.h", line 135: error(2008): too many lines in statement > + 257.00000, ! 100 FM Fermiuim > > > "elements.h", line 134: error(2147): expected a constant > + 252.00000, ! 99 ES > Einsteinium > > ^ > > "elements.h", line 134: error(2112): expected a "/" > + 252.00000, ! 99 ES > Einsteinium > > ^ > > 3 errors detected in the compilation of "mol2sdf.f". > *** Error code 2 (bu21) > *** Error code 1 (bu21) > > Does anyone have any suggestions or recommendations, or has this > happened to anyone else? > > Thanks, Rachelle > -- > ******************************* > Dr. Rachelle J. Bienstock > Molecular Modeler and Computational Chemist > NIH/NIEHS > 111 T.W. Alexander Drive > P.O. Box 12233 MD F0-01 > Research Triangle Park, NC 27709 > Tel.: (919) 541-3397 > e-mail: rachelle@picard.niehs.nih.gov or > rachelle@odo.niehs.nih.gov > ******************************** > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: rachelle@odo.niehs.nih.gov > -- Original Sender From: Address: rachelle@odo.niehs.nih.gov > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html > > From iguana@one.net Wed Apr 22 21:26:20 1998 Received: from mail1.one.net for iguana@one.net by www.ccl.net (8.8.3/950822.1) id VAA28292; Wed, 22 Apr 1998 21:08:00 -0400 (EDT) Received: from port-46-7.access.one.net ([209.50.101.213] HELO default ident: IDENT-NOT-QUERIED [port 42246]) by mail.one.net with SMTP id <10558-21536>; Wed, 22 Apr 1998 21:07:54 -0400 From: "Ray Crawford" To: rachelle bienstock , Arno Papazyan Date: Wed, 22 Apr 1998 21:01:55 +0000 MIME-Version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Subject: Re: CCL:Dock 4.0 compilation Reply-to: iguana@one.net CC: chemistry@www.ccl.net Priority: normal References: <353DF922.4487@odo.niehs.nih.gov> In-reply-to: Message-Id: <19980423010754Z10558-21536+747@mail.one.net> Hi!! That is exactly what the problem with elements.h is. I reported this bug back to Kuntz's group about 3 months ago, but apparently, they have not fixed it yet..... Oh well... It's easy enough to fix yourself... Ray. Date: Wed, 22 Apr 1998 10:55:34 -0700 (PDT) From: Arno Papazyan To: rachelle bienstock Cc: chemistry@www.ccl.net Subject: CCL:Dock 4.0 compilation Sounds like there are too many continuation lines (the ones that have "+"s in the 6th column) for the compiler's taste. Unless the compiler gives you the option of increasing that limit, you'll have to break the statement into separate pieces. ---------------------------------- Arno Papazyan Department of Chemistry University of Southern California Los Angeles, CA 90089 Phone: (213)740-7671 e-mail: arno@usc.edu http://apriori.usc.edu/arno ----------------------------------- On Wed, 22 Apr 1998, rachelle bienstock wrote: > Hi- > > I am trying to compile Dock 4.0 on an SGI Octane running Irix 6.4 > and have encountered the following error in the compilation. > > f77 -O2 -c mol2sdf.f > "elements.h", line 135: error(2008): too many lines in statement > + 257.00000, ! 100 FM Fermiuim > > > "elements.h", line 134: error(2147): expected a constant > + 252.00000, ! 99 ES > Einsteinium > > ^ > > "elements.h", line 134: error(2112): expected a "/" > + 252.00000, ! 99 ES > Einsteinium > > ^ > > 3 errors detected in the compilation of "mol2sdf.f". > *** Error code 2 (bu21) > *** Error code 1 (bu21) > > Does anyone have any suggestions or recommendations, or has this > happened to anyone else? > > Thanks, Rachelle > -- > ******************************* > Dr. Rachelle J. Bienstock > Molecular Modeler and Computational Chemist > NIH/NIEHS > 111 T.W. Alexander Drive > P.O. Box 12233 MD F0-01 > Research Triangle Park, NC 27709 > Tel.: (919) 541-3397 > e-mail: rachelle@picard.niehs.nih.gov or > rachelle@odo.niehs.nih.gov > ******************************** > > -------This is added Automatically by the Software-------- > -- Original Sender Envelope Address: rachelle@odo.niehs.nih.gov > -- Original Sender From: Address: rachelle@odo.niehs.nih.gov > CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator > MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 > Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search > Web: http://www.ccl.net/chemistry.html > > -------This is added Automatically by the Software-------- -- Original Sender Envelope Address: arno@rcf.usc.edu -- Original Sender From: Address: arno@rcf.usc.edu CHEMISTRY@www.ccl.net: Everybody | CHEMISTRY-REQUEST@www.ccl.net: Coordinator MAILSERV@www.ccl.net: HELP CHEMISTRY or HELP SEARCH | Gopher: www.ccl.net 73 Anon. ftp: www.ccl.net | CHEMISTRY-SEARCH@www.ccl.net -- archive search Web: http://www.ccl.net/chemistry.html Ray Crawford Iguana's Dynamic Links List http://w3.one.net/~iguana/Dynamic_Links_List/links.html iguana@one.net