From lachlan@melbpc.org.au Sat Aug 2 01:14:59 1997 Received: from emu.melbpc.org.au for lachlan@melbpc.org.au by www.ccl.net (8.8.3/950822.1) id AAA13860; Sat, 2 Aug 1997 00:50:03 -0400 (EDT) Received: from lachlan (dingo3.melbpc.org.au [203.12.157.3]) by emu.melbpc.org.au (8.8.5/8.8.6) with SMTP id OAA07222; Sat, 2 Aug 1997 14:49:31 +1000 (EST) Message-Id: <2.2.32.19970802044538.006a8e94@popa.melbpc.org.au> X-Sender: lachlan@popa.melbpc.org.au X-Mailer: Windows Eudora Pro Version 2.2 (32) Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Sat, 02 Aug 1997 14:45:38 +1000 To: "Smith JA (Jack)" From: Lachlan Cranswick Subject: Re: URLs with tildes blocked by firewall Cc: "'ChemWeb'" , "'CHEMISTRY@www.ccl.net'" , "'CHMINF-L@LISTSERV.INDIANA.EDU'" After presenting an internet Workshop at last year's Denver X-ray conference I heard quite a few interesting stories from the audience - most of which seemed to mainly originate from US corporations(?). Company names deleted, these include: A company insisting that each exact URL you wanted to be specified in advance so they could set the permissions that you could receive these (and only these) URLs. The best one I heard was a company that had "hidden" content filters to check the content and make sure not of it was inappropriate. To check for pornographic material, they would do checks on the string "X-rated". However, their system would only use the first 4 characters - "X-ra". One of the company powder diffractionists got hauled over the coals for browsing pornographic material. It seems he did a web search for "X-rays" I also know of some companies that will not let their ordinary staff browse on the real World Wide Web. They have to request the site they are interested in browsing through - and these are then downloaded by the IT department onto local network hard-disks for off-line browsing. I'm sure there must be more stories like this out there? --- Quite a few useful sites have the ~ symbol in them - as they are individual homepages. Why not try Stefan Webers Crystallography and Quasicrystal homepage (with much good free DOS and Java software): http://www.nirim.go.jp/~weber/ Cheers, Lachlan. > I have a query for the Chemistry-Internet community at-large, but >particularly for industrial sites. Our corporate IT department recently >completed the installation of a firewall/proxy for all Internet traffic >and one of the "protections" they have implemented is a filtering >process that prohibits access to certain URLs (sites) - some explicitly >and others by somewhat generic rules. One such generic rule is the the >presence of a tilde (~) in the URL. Tilde's are often used as a >shortcut representation of a home directory (particularly on Unix >systems). For some reason our IT department considers such sites as >inappropriate for business/research purposes. It now take VP approval to >unblock such sites. Has anyone else heard of, experienced, or fully >understand such a policy? > > [This message was multi-posted, please pardon any duplication] > > > >- Jack > >-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=- > Jack A. Smith || > Union Carbide || Phone: (304) 747-5797 > Catalyst Skill Center || FAX: (304) 747-5571 > P.O. Box 8361 || > S. Charleston, WV 25303 || smithja@ucarb.com >-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=- > > >chemweb: A list for Chemical Applications of the Internet. >Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ >To unsubscribe, send to majordomo@ic.ac.uk the following message; >unsubscribe chemweb >List coordinator, Henry Rzepa (rzepa@ic.ac.uk) > > Lachlan Cranswick - Melbourne, Australia _--_|\ Phone/Fax : (613) 9455-1345 / \ E-mail : lachlan@melbpc.org.au \_.--._/ Mobile Phone/Voice Mail : 0412-1141-31 v Crystallographic WWW : http://www.unige.ch/crystal/stxnews/stx/volnteer.htm From gadre@unipune.ernet.in Sat Aug 2 02:14:59 1997 Received: from sangam.ncst.ernet.in for gadre@unipune.ernet.in by www.ccl.net (8.8.3/950822.1) id BAA13890; Sat, 2 Aug 1997 01:21:52 -0400 (EDT) Received: from iucaa (iucaa.ernet.in [144.16.31.4]) by sangam.ncst.ernet.in (8.7.5) with SMTP id KAA05501 for ; Sat, 2 Aug 1997 10:35:33 +0530 (GMT+05:30) Received: from unipune.ernet.in by iucaa (5.65v3.2/SMI-4.1) id AA07107; Sat, 2 Aug 1997 10:24:26 +0500 Received: by unipune.ernet.in (8.8.5/UNIPUNE-MAILHUB(02.04.97)) id KAA04320; Sat, 2 Aug 1997 10:23:04 -0500 (GMT) Date: Sat, 2 Aug 1997 10:23:04 -0500 (GMT) From: gadre@unipune.ernet.in (Prof.Gadre Faculty-Chemistry) Message-Id: <199708021523.KAA04320@unipune.ernet.in> To: CHEMISTRY@www.ccl.net Subject: Registration Fees : Extension of Deadline Cc: gadre@unipune.ernet.in Deadline : Extension : Registration Fees for ICCCRE Dear Sirs : The last date of payment of Registration Fees for the conference (US$150 for students and $300 for others ) is now extended to August 31, 1997. This has been done keeping in mind numerous requests for allowing credit card payments. We have so far been unable to accept payment by credit cards. The payment is still to be made made by a Banker's draft drawn on any bank that has a branch in Mumbai (Bombay) payable to "The Registrar, University of Pune(ICCCRE)". The draft should be mailed to Professor S. R. Gadre Department of Chemistry University of Pune Pune-411007. INDIA. We have problems accepting CREDIT CARD payments at this moment. Your co-operation in this matter is solicited. Thanks and looking forward to meet you in Pune in January 1998! Shridhar Gadre, Convenor, XII ICCCRE. From gadre@unipune.ernet.in Sat Aug 2 05:15:01 1997 Received: from sangam.ncst.ernet.in for gadre@unipune.ernet.in by www.ccl.net (8.8.3/950822.1) id EAA14270; Sat, 2 Aug 1997 04:25:38 -0400 (EDT) Received: from iucaa (iucaa.ernet.in [144.16.31.4]) by sangam.ncst.ernet.in (8.7.5) with SMTP id OAA15430 for ; Sat, 2 Aug 1997 14:04:38 +0530 (GMT+05:30) Received: from unipune.ernet.in by iucaa (5.65v3.2/SMI-4.1) id AA09892; Sat, 2 Aug 1997 13:52:15 +0500 Received: by unipune.ernet.in (8.8.5/UNIPUNE-MAILHUB(02.04.97)) id NAA05969; Sat, 2 Aug 1997 13:50:53 -0500 (GMT) Date: Sat, 2 Aug 1997 13:50:53 -0500 (GMT) From: gadre@unipune.ernet.in (Prof.Gadre Faculty-Chemistry) Message-Id: <199708021850.NAA05969@unipune.ernet.in> To: CHEMISTRY@www.ccl.net Subject: XII ICCCRE address for correspondence Cc: gadre@parcom.ernet.in Dear Sirs : We are facing some problems at the following e-mail addresses. gadre@chem.unipune.ernet.in & gadre@unipune.ernet.in. May I request you to send mail, if any, to gadre@parcom.ernet.in until further notice. Sorry for any inconvenience caused. Thanks............Shridhar Gadre From yubofan@guomai.sh.cn Sat Aug 2 10:15:03 1997 Received: from gm-email.guomai.sh.cn for yubofan@guomai.sh.cn by www.ccl.net (8.8.3/950822.1) id KAA14639; Sat, 2 Aug 1997 10:07:31 -0400 (EDT) Received: from ------ ([210.0.0.10]) by gm-email.guomai.sh.cn (8.8.5/8.8.5) with ESMTP id WAA20026 for ; Sat, 2 Aug 1997 22:03:19 +0900 Message-Id: <199708021303.WAA20026@gm-email.guomai.sh.cn> From: "Yubo Fan" To: Subject: Retell me a literature mentioned weeks ago. Date: Sat, 2 Aug 1997 22:03:42 +0800 X-MSMail-Priority: Normal X-Priority: 3 X-Mailer: Microsoft Internet Mail 4.70.1161 MIME-Version: 1.0 Content-Type: text/plain; charset=HZ-GB-2312 Content-Transfer-Encoding: 7bit Hi, I read a message about a literature of interact between benzene molecules. It is an article of J. C. P. or J. P. C. in 1996. My OS was cracked occasionally. I lost this message. If somebody know this message, please email me. Thank you very much. With Best Regards Y. Fan ( @ @ ) .------------------oOOo----(_)----oOOo---------------------------. | Yubo Fan | E-mail: yubofan@guomai.sh.cn | | Organic Synthesis Lab | yubofan@fudan.edu.cn | | Chemistry Department | Phone: 086-21-65492222x4294 | | Fudan University | Fax: 086-21-65341642 | | Shanghai, 200433 .oooO | | | P. R. China ( ) | Oooo. | .-------------------------\ (----( )---------------------------. \_) ) / (_/ From mn1@helix.nih.gov Sat Aug 2 22:15:07 1997 Received: from helix.nih.gov for mn1@helix.nih.gov by www.ccl.net (8.8.3/950822.1) id WAA16414; Sat, 2 Aug 1997 22:07:47 -0400 (EDT) Received: (from mn1@localhost) by helix.nih.gov (8.8.5/8.8.5) id WAA19253 for chemistry@www.ccl.net; Sat, 2 Aug 1997 22:07:49 -0400 (EDT) Date: Sat, 2 Aug 1997 22:07:49 -0400 (EDT) From: "M. Nicklaus" Message-Id: <199708030207.WAA19253@helix.nih.gov> To: chemistry@www.ccl.net Subject: Re: Alpha + Linux ? On Fri, 1 Aug 1997, Cheol Choi wrote: > According to the SPEC benchmark, Dec Alpha seems to be the > fastest processor currently. > And I know some companies are selling Alpha workstations with Linux OS at > very reasonable price. > Is there anyone who has good experience with Alpha + Linux combination? We've had some experience with Alpha + Linux recently, and are going to have more very soon. Has it been good? Yes and no. The Alpha chip is indeed a very fast processor. The new motherboards with the DEC Pyxis chip set promise to be even faster, 600 MHz systems are selling (albeit still quite expensive), and processors with clock rates of 800 MHz and higher are in the pipeline. What's the drawback then? Mostly the software. The Linux for the Alpha (axp-linux) is much less mature and stable than Linux for the x86 type processors. A big problem are the compilers. f2c is plain buggy, and gcc and the linker also have their problems. If you want to know more (probably more than you want to know...) about these technical axp-linux issues, you can follow the discussion on the mailing list axp-list@redhat.com (to subscribe: send e-mail to axp-list-request@redhat.com with 'subscribe' as the subject), or check the newsgroup comp.os.linux.alpha. The software we tested on axp-linux was: CHARMM runs GAMESS runs AMSOL runs Gaussian 94 doesn't compile (see also previous postings on the CCL) When I last checked some of the Web sites on scientific applications for Linux, such as http://SAL.kachinatech.com/Z/2 or http://chpc06.ch.unito.it/chem_linux.html, I counted more than 70 Chemistry/Biology related programs. We sure haven't tested them all, but I'd guess if you get the source code for them, you could give it a shot at compiling them on an Alpha Linux system. If you have access to a Digital Unix system, you can actually compile your program on the DEC system and then run it on the Alpha Linux machine -- the executables are binary compatible (if you use static linking for the libraries). This doesn't always work (didn't work for G94), but we've used this method repeatedly for other programs. The benchmarks we ran showed very nice results indeed. The speedup we saw for various application relative to a Pentium PRO 200 MHz system running under Linux was between 1.5 and 2.2. From the clock rates, you would expect 2.5 (we used a 500 MHz Alpha chip). The advanced chip architecture itself might allow even higher numbers. The reason we havent't seen those numbers (yet) are most likely compiler issues. I can only recommend that you test various compiler options (optimization etc.) if not different compiler to see which gives you the fastest code. The bottom line, from my point of view, is: It's a great platform, but still in its early stages. So, if you like to patch operating system source code, rebuild the kernel, tweak the compilers, and do other system 'hacking' regularly, go for it (...it's not really that bad, but you get my drift). We *are* using such a system to do real comp.chem. work. However, if you want a system that is totally out-of-the-box, runs every known application without a problem, has plenty of stable compilers, etc., then you'd probably want to wait a little bit longer. Marc ------------------------------------------------------------------------ Marc C. Nicklaus National Institutes of Health E-mail: mn1@helix.nih.gov Bldg 37, Rm 5B29 Phone: (301) 402-3111 BETHESDA, MD 20892-4255 USA Fax: (301) 496-5839 http://www.nci.nih.gov/intra/lmch/MCNBIO.HTM Laboratory of Medicinal Chemistry, National Cancer Institute, & Lab. of Structural Biology, Div. of Computer Research and Technology ------------------------------------------------------------------------