From oscar@bilbo.edu.uy Sun Mar 5 10:09:46 1995 Received: from seciu.uy for oscar@bilbo.edu.uy by www.ccl.net (8.6.10/930601.1506) id JAA05566; Sun, 5 Mar 1995 09:33:21 -0500 Received: from bilbo.edu.uy by seciu.uy with smtp (Smail3.1.28.1 #27) id m0rlHLX-000m58C; Sun, 5 Mar 95 11:31 GMT-3:00 Received: by bilbo.edu.uy (AIX 3.2/UCB 5.64/4.03) id AA14199; Sun, 5 Mar 1995 11:30:45 -0300 Date: Sun, 5 Mar 1995 11:30:44 -0300 (TZ ) From: "Oscar N. Ventura" To: chemistry@ccl.net Subject: Re: Threat to the Internet Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, The message yesterday about the Senate Bill S.314 (Communications Decency Act) reports on a very real threat to the Internet (once the land of the free men). I imagine it is just the natural process of "civilization": the process by which a set of consensual, autoimposed, "natural" regulations ruling the interconnection of a bunch of pioneers, is substituted by a body of laws implanted from outside the group so as to allow the masses to participate in a "properly ordered" and "well-behaved" way. Like any beautiful natural place perishes under the feet of mass tourism once publicity popularizes it, the Internet is dying under the burden of its own usefulness. I am skeptical about the force any amount of pressure from scientists may carry in this subject but, of course, we should try it. On the other side, what happens in the USA is affecting also all of us, scientists located in many other countries and relying heavily on the Internet for our work. I am concious that perhaps these messages are not too appropriate for the CCL, but may I suggest that the knowledgeable US scientists post some recommendations as to how we foreigners can act upon this subject? After all, even if Internet is global, the Senate Bill S.314 is rather local. Thanks and sorry for the bandwith abuse! O. ------------------------------------------------------------------------------- Dr. Oscar N. Ventura Tel. +(5982)941860 MTC-Lab Fax +(5982)941906 Gral.Flores 2124, C. C. 1157 E-mail oscar@bilbo.edu.uy Montevideo 11800, URUGUAY MTC-Lab http://bilbo.edu.uy/MTC-Lab.html ------------------------------------------------------------------------------- From doki@indy.mars.vein.hu Sun Mar 5 12:09:58 1995 Received: from miat0.vein.hu for doki@indy.mars.vein.hu by www.ccl.net (8.6.10/930601.1506) id LAA06387; Sun, 5 Mar 1995 11:34:44 -0500 Received: by miat0.vein.hu (5.65/DEC-Ultrix/4.3) id AA00488; Sun, 5 Mar 1995 17:34:13 -0600 Received: by indy.mars.vein.hu (931110.SGI/930416.SGI.AUTO) for @miat0.vein.hu:Chemistry@ccl.net id AA16084; Sun, 5 Mar 95 17:37:30 +0100 From: "Abonyi Janos" Message-Id: <9503051737.ZM16082@indy.mars.vein.hu> Date: Sun, 5 Mar 1995 17:37:23 +0100 X-Mailer: Z-Mail (3.1.0 22feb94 MediaMail) To: Chemistry@ccl.net Subject: Summary calix(4)arenes Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 To the CCL Subscribers: On 27 Feb. 1995, I posted some questions concerning calixarenes. I received a number of helpfull responses. I have summarized those. To all of you, who sent, thank you very much ! -------------------------------------------------------------------------- My original question: Hi, I am intrested in calix(4)arenes. I am making molecular mechanics, dimamics calcualtion and energetical study for alkyled Calix(4)arens, but I havent got X-ray structures. I would like to make molecular dinamics simulation in solvelt. I need some info about metods, publications, and force field parameters. I am using Cerius2, Spartan, PCMODEL and MM3. -------------------------------------------------------------------------- The answers: -------------------------------------------------------------------------- From: Gouldson P R (goulpj@essex.ac.uk) Have a look for the Amber suit of programs you amy have to work out or estimate the force fields slightly in an .frcmod file but you can do that from the code There is a http page for the group at San Fran that developed the program http://www.amber.ucsf.edu/amber/amber.html -------------------------------------------------------------------------- From: Francois BAYARD (bayard@coms1.univ-lyon1.fr) Most of crystal structures of calix(4)arens are in the Cambridge Databank Follow the papers I published in the laboratory where I worked previously: Reconnaissance moliculaire des xylhnes par le paraisopropyli- calix(4)arhne R.Perrin, M.Bourakhouadar, M.Perrin, Oehler, F.Gharnati, S.Lecocq, J.Royer, C.Dicoret et F.Bayard C.R.Acad.Sci.Paris, 1991 12 (II) 1135-1140 ----- Exploration of reaction paths for the interconversion of conformers f calix(4)arenes using mmp2 calculations J.Royer, F.Bayard and C.Decoret J. Chim. Phys. 1990, 87 1695-1700 ----- The conformational properties of calix(4)arenes 1H NMR and molecular mechanics calculations F.Bayard, C.Decoret, D.Pattou, J.Royer, A.Satrallah and J.Vicens J. Chim. Phys., 1989, 86(5), 945-954 -------------------------------------------------------------------------- From: Lipkowitz (lipkowitz@chem.iupui.edu) I published a paper on this topic. It contains some cautionary information. See: Lipkowitz& Pearl, J. Org. Chem., 1993, 58(24), 6729-36. -------------------------------------------------------------------------- From: Randy Zauhar (uunet.uu.net!tripos!rigel!zauhar) My collaborator Alex Varnek (U. Strasbourg) has done a lot of work on these compounds, including dynamics in various solvents. One paper is Varnek, et. al., J. Comp. Chem., vol 16 p. 1 (1995). He has other stuff submitted. Randy All opinions expressed here are mine, not my employer's -------------------------------------------------------------------------- From: Tom Stockfisch (tps@iris27.biosym.com) Have you seen the article in JACS 1995, 117 on these compounds, together with anions and radicals? -- Tom Stockfisch, BIOSYM Technologies tps@biosym.com -------------------------------------------------------------------------- From: m.langoor@ams.chem.ruu.nl (m.langoor@ams.chem.ruu.nl) the following recent publications might be usefull to you: T. Harada et al., Tetrahedron, 50(47), pp. 13377-13394, 1994. I. Thondorf et al., J. Chem. Soc. Perkin Trans. 2, 1994, pp. 2259-2267. -------------------------------------------------------------------------- Janos Abonyi | University of Veszprem | Dept. Org. Chem | Phone: +36-(94)-321833 Veszprem, H-8201 | Egyetem u. 10 | Email: doki@indy.mars.vein.hu P.O.Box 158 | HUNGARY | -------------------------------------------------------------------------- From stoutepf@lldmpc.dnet.dupont.com Sun Mar 5 14:09:53 1995 Received: from gatekeeper.es.dupont.com for stoutepf@lldmpc.dnet.dupont.com by www.ccl.net (8.6.10/930601.1506) id NAA07467; Sun, 5 Mar 1995 13:57:15 -0500 Received: by gatekeeper.es.dupont.com; id AA05125; Sun, 5 Mar 95 13:56:00 -0500 Received: from [158.117.200.143] (llm200143.dmpc.com) by chemsci1.dmpc.com (4.1/SMI-4.1) id AA00842; Sun, 5 Mar 95 13:54:25 EST X-Sender: stoutepf@chemsci1.dmpc.com Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" X-Mailer: Eudora 1.5.1 for Macintosh Date: Sun, 5 Mar 1995 13:55:02 -0500 To: CHEMISTRY@ccl.net From: stoutepf@lldmpc.dnet.dupont.com (Pieter Stouten) Subject: Re: CCL:Threat to the Internet Cc: water@gibbs.oit.unc.edu, shogi-l@technion.technion.ac.il, dibug@comp.bioz.unibas.ch, biblio@iris.claremont.edu Oscar N. Ventura commented on the Communications Decency Act (Senate Bill S.314) as probably being part of the natural process of civilization. I am afraid it is far more and far more serious than that. The proposed lawcould make providers of internet services (companies, universities, AOL, CompuServe, etc.) liable for "indecent" postings which is the same as holding the Post Office responsible for delivery of "indecent" mail. Also, e-mail between individual, private users would be subject to censorship. Where does that leave freedom of speech? Contrary to what Oscar thinks, I think that the community of internet users can have considerable influence. I append an e-mail note posted earlier to the Info-Mac Digest and other newsgroups and mailing lists, which provides you with a very easy way of making your opinion (including those of foreigners!) heard. As of Saturday 4 March 76,323 signatures for the internet petition opposing S.314 and H.R.1004 have been received! For more info refer to: http://www.phantom.com/~slowdog ftp://ccl.net/pub/chemistry/legal/senate314 Sorry for wasting bandwidth, but soon there may not may be any bandwidth to waste anymore. Pieter Stouten, speaking for himself, not for his employer. ----------------------------------------------------------------------------- Info-Mac Digest Sun, 26 Feb 95 Volume 13 : Issue 27 [...] Date: 95-02-26 02:04:27 EST From: KEISNER@CENTER.COLGATE.EDU Subject: Censorship A matter has come to my attention that is of the utmost importance to all of us online. Simply put, a couple of senators have proposed a particularly heinous piece of legislation titled the "Communications Decency Act of 1995" (Senate Bill S. 314). Basically, the bill would subject all forms of electronic communication -- from public Internet postings to your most private email -- to government censorship. The effects of the bill onto the online industry would be devastating -- most colleges and private companies (AOL, Compuserve, etc.) would probably have to shut down or greatly restrict access, since they would be held criminally liable for the postings and email of private users. Obviously, this bill is designed to win votes for these senators among those who are fearful of the internet and aren't big fans of freedom of speech -- ie., those who are always trying to censor "pornography" and dirty books and such. Given the political climate in this country, this bill might just pass unless the computer community demonstrates its strength as a committed political force to be reckoned with. This, my friends, is why I have filled your mailbox with this very long message. A petition, to be sent to Congress, the President, and the media, has begun spreading through the Internet. It's easy to participate and be heard -- to sign it, you simply follow the instructions below -- which boil down to sending a quick email message to a certain address. That's all it takes to let your voice be heard. (You know, if the Internet makes democracy this accessible to the average citizen, is it any wonder Congress wants to censor it?) Finally, PLEASE forward this message to all your friends online. The more people sign the petition, the more the government will get the message to back off the online community. We've been doing fine without censorship until now -- let's show them we don't plan on allowing them to start now. If you value your freedoms -- from your right to publicly post a message on a worldwide forum to your right to receive private email without the government censoring it -- you need to take action NOW. It'll take fifteen minutes at the most, a small sacrifice considering the issues at hand. Remember, the age of fighting for liberty with muskets and shells is most likely over; the time has come where the keyboard and the phone line will prove mightier than the sword -- or the Senate, in this case. Yours in liberty, -don ............................................................ To to sign the petition via e-mail: Send an e-mail message to: S314-petition@netcom.com The message (NOT the subject heading) should read as follows: SIGNED eg. SIGNED JAMES.RANDI@GENIE.GEIS.COM James Randi YES That's all there is to it, so PLEASE send in your signature. It's really important. From laiter@gibbs.oit.unc.edu Sun Mar 5 15:09:57 1995 Received: from gibbs.oit.unc.edu for laiter@gibbs.oit.unc.edu by www.ccl.net (8.6.10/930601.1506) id OAA07833; Sun, 5 Mar 1995 14:57:03 -0500 Received: from localhost by gibbs.oit.unc.edu (8.6.4.3/10.1) id OAA00135; Sun, 5 Mar 1995 14:56:57 -0500 Date: Sun, 5 Mar 1995 14:56:56 -0500 (EST) From: Sergei Laiter Subject: models of B2 adrenoreceptors To: chemistry@ccl.net Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear netters, I'm modeling G-protein coupled receptors and I'm particularly interested in existing models of B2 adrenoreceptors. If anyone would provide me with their models of these receptors I would appreciate it. -Sergei From JEREMYW@num-alg-grp.co.uk Sun Mar 5 15:18:14 1995 Received: from sun2.nsfnet-relay.ac.uk for JEREMYW@num-alg-grp.co.uk by www.ccl.net (8.6.10/930601.1506) id OAA07865; Sun, 5 Mar 1995 14:59:38 -0500 Via: uk.co.iec; Sun, 5 Mar 1995 19:59:30 +0000 Message-Id: <13085.9503052001@nags2.nag.co.uk> Received: from vax.nag.co.uk (nagvax) by nags2.nag.co.uk (4.1/UK-2.1) id AA13085; Sun, 5 Mar 95 20:01:22 GMT Date: 5 Mar 95 20:01:00 WET From: JEREMY WALTON Subject: Re: CCL:Problem with SGI 'Explorer' using another X-terminal. To: chemistry Cc: chem8 >> Hi Netters, Hi John, >> I have been asked to find out whether anyone has come up agaigst the >> following problem and solved it. If so how (apart from buying an SGI >> terminal)? For example, should an SGI emulator be used and if so where >> can one get such software? >> >> An SGI 'Crimson' is available which has the package 'Explorer'. When >> these routines are run from the console, an SGI X-terminal, it works >> fine. However, when other, colour X-terminals, HPs specifically, are >> used to run this program, connected through an ethernet, the window that >> should contain the final display (results) remains blank and the >> following messages are obtained: (messages deleted) These are Explorer complaining that the HP terminal doesn't recognise some colours and actions that it's asking the terminal to perform. I think that some of these (e.g. fonts that are uncommon on other X servers) shave been addressed in later releases of Explorer - can you say which version you're running? More specifically, rendering on the HP terminal (i.e. viewing the output of the Render module) requires that the X server understands the OpenGL protocol. You should contact the supplier of the X terminal to check this, and ask for it if they don't support it. I hope this is helpful. More information on IRIS Explorer (including details of a comprehensive support service, including upgrade to the new version of IRIS Explorer for SGI, to be released at the end of this month) can be obtained from the IRIS Explorer Center. In the UK, the contact details are: IRIS Explorer Center PO Box 50 Oxford OX2 8JU UK Tel: +44 (0)1865 516377 Fax: +44 (0)1865 516388 email: helpdesk@iec.co.uk infodesk@nag.co.uk WWW: http://www.nag.co.uk:70/1h/Welcome_IEC Cheers, Jeremy ---------------------------------------------------------------------------- | Jeremy Walton nagjpw@vax.oxford.ac.uk | | The Numerical Algorithms Group Ltd, Oxford, UK jeremyw@nag.co.uk | | Tel: +44 1865 511245 | | Fax: +44 1865 310139 | ----------------------------------------------------------------------------