From jkl@ccl.net Wed Oct 23 02:18:50 1996 Received: from mail.secorp.com for jkl@ccl.net by www.ccl.net (8.8.0/950822.1) id BAA13675; Wed, 23 Oct 1996 01:26:11 -0400 (EDT) Received: by mail.secorp.com from localhost (router,SLmailFW V2.0); Tue, 22 Oct 1996 22:27:11 PDT Received: by mail.secorp.com from mail.secorp.com (205.217.32.204::mail daemon; unverified,SLmailFW V2.0); Tue, 22 Oct 1996 22:27:10 PDT Received: from www.ccl.net (www.ccl.net [128.146.36.5]) by emf.emf.net (EMF-K/K) with ESMTP id WAA13966 for ; Tue, 22 Oct 1996 22:10:02 -0700 Received: for chemistry-request@www.ccl.net by www.ccl.net (8.8.0/950822.1) id AAA13550; Wed, 23 Oct 1996 00:47:42 -0400 (EDT) Date: Wed, 23 Oct 1996 00:47:42 -0400 (EDT) Message-Id: <199610230447.AAA13550@www.ccl.net> From: Jan Labanowski To: chemistry@www.ccl.net Subject: CCL:Pointer to full text of CCL future vision Sender: chemistry-request@www.ccl.net Errors-To: ccl@ccl.net Precedence: bulk X-UIDL: f45a041cd5cd360ae6eb7267288b3621 Dear Members of CCL, One more note... The full text version of the ideas on the future of CCL can be retrieved as: The full text of this message can be found at: http://www.ccl.net/ccl/future.html or ftp://www.ccl.net/pub/chemistry/future/vision.txt or retrieved by e-mail by sending a message select chemistry cd future get vision.txt quit to MAILSERV@www.ccl.net Jan Labanowski jkl@ccl.net --- Administrivia: This message is automatically appended by the mail exploder: 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 jkl@ccl.net Wed Oct 23 02:18:55 1996 Received: from mail.secorp.com for jkl@ccl.net by www.ccl.net (8.8.0/950822.1) id BAA13674; Wed, 23 Oct 1996 01:26:10 -0400 (EDT) Received: by mail.secorp.com from localhost (router,SLmailFW V2.0); Tue, 22 Oct 1996 22:27:10 PDT Received: by mail.secorp.com from mail.secorp.com (205.217.32.204::mail daemon; unverified,SLmailFW V2.0); Tue, 22 Oct 1996 22:27:09 PDT Received: from www.ccl.net (www.ccl.net [128.146.36.5]) by emf.emf.net (EMF-K/K) with ESMTP id VAA13366 for ; Tue, 22 Oct 1996 21:59:13 -0700 Received: for chemistry-request@www.ccl.net by www.ccl.net (8.8.0/950822.1) id AAA13443; Wed, 23 Oct 1996 00:30:38 -0400 (EDT) From: Jan Labanowski Date: Tue, 22 Oct 1996 22:18:54 -0400 Message-Id: <199610230218.WAA08261@krakow.ccl.net> To: chemistry@www.ccl.net Subject: CCL:(Repost) IMPORTANT -- Future of CCL Sender: chemistry-request@www.ccl.net Errors-To: ccl@ccl.net Precedence: bulk X-UIDL: 625a97f09946eb89f2d7e93252b7ca61 Dear Members of CCL, As promissed, I am back from Aberdeen, and I am posting this long message again, in case you missed it the first time. Big Thank You for all who responded. I learned a lot from your answers, and you gave me a lot of valuable, first hand information, as well as, great suggestions. I will answer your messages soon, but also this time, I ask you for understanding (my maibox is quite full at the moment {:-)}). I will also try to summarize your responses briefly. I already have some new thoughts thanks to your comments. But please, give me more... Thanks again. -------------------- original message reposted -------------- Please read this, since it is important to the CCL. This is, by necessity, a lenghty note, but please read on... As you know, I applied twice for the support of CCL to National the Science Foundation. First time, I did not get funding, but I learned from reviewers comments. Next time I got it... The CCL was granted NSF support, under the condition that CCL becomes self funded after 3 year period. And I need to show progress soon. The Web site has to be more organized, so it is easier to get to what you want. (...) The list grows, the number of topics grow, and I have less and less time, which I CAN JUSTIFY to spend on administering, to say nothing about improving the list. (...) While I recognize the potential, the list eats OSC resources (the Web, gopher, and ftp archives send gigabytes of stuff to the world every week), it eats my personal operational budget, and the Center cannot really justify these costs indefinitely. So please do not get me wrong... The situation is forced upon CCL. While it is a challenge for me (AND YOU), it is also an opportunity. The CCL may evolve into a much better resource. The NSF grant provides for some hardware, miscelaneous, and a single position for 3 years to support and develop the list into an enterprise which can support itself from income. If you are interested in working WITH me on this, please read the job opening announcement in the positions.offered file in CCL archives (http://www.ccl.net/chemistry.html --> CCL archives --> jobs) or go there directly via anon. ftp: ftp://www.ccl.net/pub/chemistry/jobs/positions.offered and check under: 96.09.10. I already have a few candidates, but I did not make decision yet, so if you are interested, please apply, but do it soon. (...) I will try to tell you as much as I can about my vision for the future of CCL, though obviously I cannot tell you everything. This creates a problem of confidence, and I am sorry about it. However, I hope that I proved to you for all these years that I am devoted to CCL, and that all this work was "labor of love". I hope that you can accept that it is not just a a business proposition for me, but more like having a child live long and prosper. So, how to become self funding? it boils down to essentially 2 models after you consider all cons and pros... Believe me, I did a lot of thinking, asking, and discussing... 1) non-profit, membership based, educational organization, [501(c)(3)]. (...) 2) nonallied, independent, for-profit enterprise, which provides FREE discussion forum as a price for its visibility and image. (...) The recipe for "success" which I was given quite often (but not always!!!) was: "Charge the membership fees". But I do have reservations. (...) Dues are a doubly edged sword. On one hand you get only people who want it and pay for it - a few good people. On the other hand, by charging dues, CCL would lose people for whom it would be too difficult (i.e., people who hate to pay for the free Internet; subscribers from abroad, especially from countries without free currency exchange; and students, for whom a 100 bucks is a 100 bucks, and 200 bucks is a million.). Moreover, membership fees may shrink the advertising audience. And besides, can one advertise to paid customers? On the other hand, with fees or no fees, I consider advertizing only through the CCL Web site and occassionally put some plug about visiting the Web site and praise our supporters. On the other hand, I realize that I cannot overdo this stuff, since some of you are very sensitive to this issue. (...) The other option is to go for-profit. This is a brave proposition, and by no means easy. It requires vision, knowledge, and you need to put your own money into it. But it has one advantage, that you can: "engage in any lawful act or activity for which a corporation may be formed in Ohio, pursuant to O.R.C. 1701.04(A)(3)." I do not have yet a formal business plan, and we have at least a year to decide how to go around it. The FREE list will be here until NSF grant is terminated/concluded, unless something unpredictable happens, (...) Whichever way it turns out, do not forget that all of you who subscribe to CCL are in effect in the CCL Board of Trustees. You go, and I go under. (...) Therefore I want to preserve the list as it exists NOW for FREE. It will have the current wide scope, and an interactive feel. I will most likely connect CCL to Usenet, as a moderated group, though moderating will be done by software to the extent software can do it with a very limited human intervention. (...) I assume that the list and its discussions are the core of all this, and it should not be messed up. I want to have free archives and a free Web side. But of course not all can be free, since CCL will have to earn money to pay: 1) a salary for at least one full time person, 2) a high bandwidth Internet connection 3) pay for hardware, software, and maintenance/licensing. So I have to create income sources which will depend on the FREE list, some of which will be the added value to the PLAIN list, and some which will be made attractive by the wide exposure given by the list. (...) I will try to list some ideas (not all, though) how the list can support itself from related service: 1) the CCL could be involved in non-intrusing advertising (via Web), 2) filtering messages on specific threads/topics for people who want to keep their e-mail volume low, 3) searching for particular information (in CCL archives or anywhere on the Internet), 4) consultant's brokerage, 5) selling derivatives of CCL discussions (i.e, highly organized archives, with CD-ROM editions), 6) organize virtual conferences (possibly for a fee) which will result in publishable CD-ROMS. 7) start a rapid Comp.Chem. Comm. News flash, 8) provide a home to some computational chemistry electronic journal(s) (or develop one), 9) have a job market/employment service (i.e., positions.offered may be a paid service in the future) 10) sell things over Internet (virtual store) using secure credit-card/digital-cash transactions and get commission for goods sold, 11) Web presence, Web site design, etc., 12) provide anonymous participation for users who do not want to be associated with their employers when posting, 13) provide site for Requests For Proposals for companies which want to find contractors, or organize consortia. 14) create searchable databases of comp.chem. results, data, and sources, 15) access to other services (e.g., selling computer time at computer centers) as commission, 16) selling software for small developers who cannot afford the marketing infrastructure, 17) educational services (e.g., on chemistry related HTML design), and providing infastructire for Web based instruction in chemistry related disciplines, which was prepared by 3rd parties, 18) selling our own software developed for running this CCL services, 19) providing Web space information and membership services for societes and associations in related areas 20) providing US representation for chemistry related services of foreign small businesses, and vice versa. 21) Providing some ISP functions (e.g., private e-mail accounts not associated with person's employer, providing e-mail interface to Usenet groups). This is by far not a complete listing of possibilities, and obviously, there maybe not enough market needs for some possibilities listed above. Do I want to do it all by myself? I wish there was 240 hours a day. But I hope that some of companies/startup may want to use CCL infrastructure to provide their services, and I can take some markup. So if you have some good ideas, I will be glad if you can e-mail me. Now, I will have to protect CCL assets. Thanks to the new US copyright law and some court decisions, I have some rights to the assets of CCL archive, since it represents the collection. I also have rights to the derivatives of the archive. I will put there soon some copyright notice to deter, (...) Now, each of you has a choice: do nothing, or support me and CCL which I am trying TO SAVE (Yes, SAVE!!!) I also have choices. When many of you choose to help me, we will have CCL for the long time to come, and it will be better. And remember, right now, there is no for-profit corporation associated with the list which is run by myself. The list is supported by NSF, and runs off the Ohio Supercomputer Center. But it WILL HAVE TO CHANGE IN THE FUTURE. Why? Because, I am being so told... Now, how can you help me? In many ways... For example: 1) Give me good stuff, good content, good discussions, and good, thought provoking questions for discussions. When you publish a paper, you give your best shot, since it is your divine call, and your name is on it. The CCL is a chat forum, but people listen, and they have feelings. 2) Contribute free stuff to CCL archives. You have lots of nifty software which you wrote, a lot of educational materials, good data and results, handouts, mpegs, jpegs, and gifs, and you reviewed a lot of software, and did write-ups for internal use, etc. Copyright it to yourself or whoever, and give me a license to use it for public distribution via CCL archives. You will get recognition, and I will get good stuff which will make CCL a valuable resource. But put some doc with it please, it will add a lot of value to your contribution. 3) Give me ideas. Do not be offended or disappointed, however, if I do not apply them, since I may not see their importance, or I have some plan, which would be in conflict, or, simply, I do not have manpower. I will always try to tell you why, if I can. 4) Give me money... Contribute to the "OSC Development Fund (CCL)". I will give you details soon, but in short, if you, or your organization gives me something, you will be thanked on the Web, proportionally to the amount. I will soon decide levels for Ambasadors, Patrons, Friends, Supporters, etc. and the amount of exposure associated. (...) 5) I am not a business yet... But all of you have to understand is that if I take a business path, and you do not like it, all you have to do is unsubscribe. And I am out of business. Moreover, with my other activities and involvment in the Center, I have a chance to bring some additional assets to the list archives and add these stuff to the CCL COLLECTION (sic!). However, give me your ideas on possible business opportunities for CCL. I will keep your propositions and comments in full confidence. 6) I will bug you with the info on CCL directions, changes in format, will ask you to participate in testing some ideas or software, and I will solicit your advice, your inputs, and your opinions. PLEASE, DO NOT DISCUSS CCL ON CCL!!! It may create flame wars, and will also increase the noise level since CCL is for Comp Chem. It is more than enough that I have to do it. Please send me your responses directly, and even if I do not write back immediately, I will read them, and be grateful. So, please comment! Send me your nice comments, or harsh criticism since I need it. I understand that some of you may feel disappointed. In a sense, some innocence of the list has been lost. But, as you can see, I tried to convince you that these are the means, and not ends for me. And if you think that this is another "get rich fast on the Internet", look closer at the record. The list is now at the end of its 6th year, and I am yet to see my first penny made on the list. I try to keep the good thing. But I cannot do it without your quidance, support, and trust. On the other hand, I have to take charge, since we cannot vote on everything, (...) We have to work together, but I understand that not all of you would want to support this venture. But the simple truth is that CCL has to pay its bills, or dies in pain. If there are other options, tell me about it, or you may try them yourself. Yours, Jan Labanowski jkl@ccl.net --- Administrivia: This message is automatically appended by the mail exploder: 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 erdem@pharmacy.ankara.edu.tr Wed Oct 23 04:16:47 1996 Received: from mail.secorp.com for erdem@pharmacy.ankara.edu.tr by www.ccl.net (8.8.0/950822.1) id DAA14317; Wed, 23 Oct 1996 03:21:17 -0400 (EDT) Received: by mail.secorp.com from localhost (router,SLmailFW V2.0); Wed, 23 Oct 1996 00:23:08 PDT Received: by mail.secorp.com from mail.secorp.com (205.217.32.204::mail daemon; unverified,SLmailFW V2.0); Wed, 23 Oct 1996 00:23:07 PDT Received: from www.ccl.net (www.ccl.net [128.146.36.5]) by emf.emf.net (EMF-K/K) with ESMTP id AAA18452 for ; Wed, 23 Oct 1996 00:04:16 -0700 Received: for chemistry-request@www.ccl.net by www.ccl.net (8.8.0/950822.1) id CAA13906; Wed, 23 Oct 1996 02:18:19 -0400 (EDT) Received: from io.pharmacy.ankara.edu.tr for erdem@pharmacy.ankara.edu.tr by www.ccl.net (8.8.0/950822.1) id BAA13701; Wed, 23 Oct 1996 01:39:03 -0400 (EDT) Received: from IO.194.27.25.3 (erdem.pharmacy.ankara.edu.tr [194.27.25.26]) by io.pharmacy.ankara.edu.tr (8.6.12/8.6.9) with SMTP id IAA28109 for ; Wed, 23 Oct 1996 08:01:15 +0200 Message-Id: <1.5.4.32.19961023064007.0068b128@pharmacy.ankara.edu.tr> X-Sender: erdem@pharmacy.ankara.edu.tr X-Mailer: Windows Eudora Light Version 1.5.4 (32) Date: Wed, 23 Oct 1996 08:40:07 +0200 To: chemistry@www.ccl.net From: Erdem Buyukbingol Subject: CCL:Symposium in Anatolia Sender: Computational Chemistry List Errors-To: ccl@www.ccl.net Precedence: bulk X-UIDL: 3f44a973618f14d86931ae2e10675acc 5th International Symposium on Pharmaceutical Sciences Ankara University, Faculty of Pharmacy, Ankara Turkey, June 24 - 27, 1997 FIRST ANNOUNCEMENT Dear Colleague October 23, 1996 The "Fifth International Symposium on Pharmaceutical Sciences" organized by the Faculty of Pharmacy, Ankara University, will be held in Ankara during June 24 - 27, 1997. Apart from invited lectures, participants from Universities, Research Centers and Industry will have the opportunity of contributing oral, poster and electronic poster presentations on the topics of basic and applied pharmaceutical sciences. You can easily access to uor Faculty's web page and fill the application form in order to include yourself as a participant. The URL address is, http://www.pharmacy.ankara.edu.tr The e-mail is, ankpharm@pharmacy.ankara.edu.tr This time we are also arranging an Electronic Poster session for your convenience to take part your favorite studies in the symposium if you are unable to visit our country. All abstracts for the electronic posters will undergo regular refereeing before being mounted for the electronic Conference. Abstract titles, authors and URL addresses of the electronic posters will be included in the Symposium Book of Abstracts. The Organizing Committee would be grateful if you could participate the Symposium and inform your colleagues about it. We hope that you will join us and take the oppotunity to participate in exciting scientific program, as well as to travel throughout this unique land so-called ancient ANATOLIA. We look forward to welcoming you to a stimulating meeting and wish you an enjoyable stay in Turkey. Sincerely yours, Organizing Committee -------This is added Automatically by the Software-------- -- Original Sender Envelope Address: erdem@pharmacy.ankara.edu.tr -- Original Sender From: Address: erdem@pharmacy.ankara.edu.tr 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 nila@solidmr.kun.nl Wed Oct 23 10:16:47 1996 Received: from wn1.sci.kun.nl for nila@solidmr.kun.nl by www.ccl.net (8.8.0/950822.1) id JAA15627; Wed, 23 Oct 1996 09:16:41 -0400 (EDT) Received: from bloch.solidmr.kun.nl by wn1.sci.kun.nl via bloch.solidmr.kun.nl [131.174.41.1] with SMTP for id PAA16609 (8.7.6/3.11); Wed, 23 Oct 1996 15:16:32 +0200 (MET DST) Received: from stern.solidmr.kun.nl by bloch.solidmr.kun.nl (SMI-8.6/SMI-SVR4) id PAA16617; Wed, 23 Oct 1996 15:16:30 +0200 Received: by stern.solidmr.kun.nl (SMI-8.6/SMI-SVR4) id PAA08747; Wed, 23 Oct 1996 15:16:30 +0200 Date: Wed, 23 Oct 1996 15:16:30 +0200 From: nila@solidmr.kun.nl (Niels van der Laag) Message-Id: <199610231316.PAA08747@stern.solidmr.kun.nl> To: chemistry@www.ccl.net Subject: Q: algorithm for eigenvalues X-Sun-Charset: US-ASCII Dear CCL-ers, I am looking for a algorithm, or a reference to it, which retrieves all eigenvalues (and preferebly also all the eigenvectors) of a hermitian complex band matrix. (I need the eigenvalues of a special Hamiltonian) Because I work with matrices with large dimensions, it should use its knowledge about its banded structure. The number of non-zero elements is large. Please mail to my personal mailaddress. Thanks in advance, Niels, +----------------------------------------------------------+ | Niels J. van der Laag | | Student Computational Chemistry | | Dept. of Physical Chemistry (Solid State NMR) | | University of Nijmegen | | Toernooiveld 1, NL-6525 ED Nijmegen, Netherlands | | phone: ++31-24-3653112 email: nila@solidmr.kun.nl | | nielsl@sci.kun.nl | +----------------------------------------------------------+ From bru@fcu.um.es Wed Oct 23 12:11:55 1996 Received: from mail.secorp.com for bru@fcu.um.es by www.ccl.net (8.8.0/950822.1) id KAA16217; Wed, 23 Oct 1996 10:36:13 -0400 (EDT) Received: by mail.secorp.com from localhost (router,SLmailFW V2.0); Wed, 23 Oct 1996 07:38:05 PDT Received: by mail.secorp.com from mail.secorp.com (205.217.32.204::mail daemon; unverified,SLmailFW V2.0); Wed, 23 Oct 1996 07:38:05 PDT Received: from www.ccl.net (www.ccl.net [128.146.36.5]) by emf.emf.net (EMF-K/K) with ESMTP id HAA03093 for ; Wed, 23 Oct 1996 07:27:39 -0700 Received: for chemistry-request@www.ccl.net by www.ccl.net (8.8.0/950822.1) id AAA13358; Wed, 23 Oct 1996 00:27:22 -0400 (EDT) Received: from unimur.um.es for bru@fcu.um.es by www.ccl.net (8.8.0/950822.1) id KAA06190; Tue, 22 Oct 1996 10:41:53 -0400 (EDT) Received: from fcu.um.es (gaia.fcu.um.es) by unimur.um.es (4.1/SMI-4.1) id AA05656; Tue, 22 Oct 96 16:44:55 +0200 Received: from roquebru.bio.um.es by fcu.um.es (5.x/SMI-SVR4) id AA09994; Tue, 22 Oct 1996 16:44:26 +0100 Message-Id: <9610221544.AA09994@fcu.um.es> X-Sender: bru@gaia.fcu.um.es Date: Tue, 22 Oct 1996 16:43:12 +0100 To: chemistry@www.ccl.net From: bru@fcu.um.es (Roque Bru Martinez) Subject: CCL:CCL:formulations freeware or software Sender: chemistry-request@www.ccl.net Errors-To: ccl@ccl.net Precedence: bulk X-UIDL: 0c98432bf9d45048dcb67a60cb8be96e Dear netters: I am looking for freeware or software to desing formulations to attain emulsions with specific desired properties, in particular droplet size, viscosity, stability, and so on. May someone give me some clue? Thanx ---------------------------------------------------------------------------- Dr. Roque Bru-Martinez Phone: (+34 68) 30.71.00 ext 2945 Dpto. Bioquimica y Biol Mol. (A) Fax.....: (+34 68) 36.41.47 and 36.39.63 Fac. Veterinaria e-mail: bru@fcu.um.es Unidad Docente de Biologia UNIVERSIDAD DE MURCIA Sent using Eudora 1.4 Apto. 4021 E-30071 Murcia Spain ---------------------------------------------------------------------------- --- Administrivia: This message is automatically appended by the mail exploder: 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 toukie@zui.unizh.ch Wed Oct 23 12:12:01 1996 Received: from mail.secorp.com for toukie@zui.unizh.ch by www.ccl.net (8.8.0/950822.1) id KAA16219; Wed, 23 Oct 1996 10:36:14 -0400 (EDT) Received: by mail.secorp.com from localhost (router,SLmailFW V2.0); Wed, 23 Oct 1996 07:38:07 PDT Received: by mail.secorp.com from mail.secorp.com (205.217.32.204::mail daemon; unverified,SLmailFW V2.0); Wed, 23 Oct 1996 07:38:07 PDT Received: from www.ccl.net (www.ccl.net [128.146.36.5]) by emf.emf.net (EMF-K/K) with ESMTP id HAA03314 for ; Wed, 23 Oct 1996 07:31:37 -0700 Received: for chemistry-request@www.ccl.net by www.ccl.net (8.8.0/950822.1) id AAA13356; Wed, 23 Oct 1996 00:27:21 -0400 (EDT) Received: from zzmkgtw.zzmk.unizh.ch for toukie@zui.unizh.ch by www.ccl.net (8.8.0/950822.1) id JAA05614; Tue, 22 Oct 1996 09:04:55 -0400 (EDT) Received: by zzmkgtw.zzmk.unizh.ch; (5.65v3.2/1.3/10May95) id AA13072; Tue, 22 Oct 1996 14:09:16 +0100 Message-Id: <1.5.4.32.19961022130546.0066ecd0@zui.unizh.ch> X-Sender: toukie@zui.unizh.ch (Unverified) Date: Tue, 22 Oct 1996 14:05:46 +0100 To: chemistry@www.ccl.net From: "Hr. Dr. S. Shapiro" Subject: CCL:Seeking CCDB data Sender: chemistry-request@www.ccl.net Errors-To: ccl@ccl.net Precedence: bulk X-UIDL: 2192068f50280e90edd88482f9c996e0 Dear Colleagues; I wish to search the Cambridge Crystallographic Database for struc- tures that might have been deposited there which meet all of the following criteria: (i) they are phenolic; and (ii) they have an intramolecular hydrogen bonds between the phenolic -OH moiety and some other group (e.g., an oxygen atom or a C=O moiety ortho to the phenolic -OH moiety); and (iii) their structures have been determined by neutron diffraction (I need experimental values for the positions of the hydrogen atoms as well as for the heavy atoms). I applied to the Pittsburgh Supercomputer Centre to access their CCDB mirror, but I was turned down because I am not affilated with an Ameri- can institution. Therefore, if anyone out there in CCL-Land would be will- ing to undertake a search for me in some mirror of the CCDB for compounds meeting the above criteria, I would greatly appreciate hearing from you. Yours most respectfully, (Dr.) S. Shapiro Inst. f. orale Mikrobiol. u. allg. Immunol. Zent. f. Zahn-, Mund- u. Kieferheilkd. der Univ. ZH Plattenstr. 11 Postfach CH-8028 Zuerich 7 Switzerland Internet: toukie@zui.unizh.ch FAX-nr: ( ... + 1) 261'56'83 --- Administrivia: This message is automatically appended by the mail exploder: 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 ccl@www.ccl.net Wed Oct 23 16:31:39 1996 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.0/950822.1) id QAA18499; Wed, 23 Oct 1996 16:21:10 -0400 (EDT) Received: from po8.andrew.cmu.edu for mm6n+@andrew.cmu.edu by bedrock.ccl.net (8.8.0/950822.1) id QAA06684; Wed, 23 Oct 1996 16:21:04 -0400 (EDT) Received: (from postman@localhost) by po8.andrew.cmu.edu (8.7.5/8.7.3) id QAA13536 for chemistry@ccl.net; Wed, 23 Oct 1996 16:20:41 -0400 Received: via switchmail; Wed, 23 Oct 1996 16:20:40 -0400 (EDT) Received: from unix18.andrew.cmu.edu via qmail ID ; Wed, 23 Oct 1996 16:19:12 -0400 (EDT) Received: from unix18.andrew.cmu.edu via qmail ID ; Wed, 23 Oct 1996 16:19:11 -0400 (EDT) Received: from mms.4.60.Jun.27.1996.03.02.53.sun4.51.EzMail.2.0.CUILIB.3.45.SNAP.NOT.LINKED.unix18.andrew.cmu.edu.sun4m.54 via MS.5.6.unix18.andrew.cmu.edu.sun4_51; Wed, 23 Oct 1996 16:19:11 -0400 (EDT) Message-ID: Date: Wed, 23 Oct 1996 16:19:11 -0400 (EDT) From: Marcela Madrid To: chemistry@ccl.net Subject: CCL: Message Passing and Distributed Computing Workshop MESSAGE PASSING AND DISTRIBUTED COMPUTING WORKSHOP November 11-14, 1996 Pittsburgh Supercomputing Center 4400 Fifth Avenue Pittsburgh, PA 15213 ----------------------------------------------------------------------------- The Pittsburgh Supercomputing Center invites you to apply for our Message Passing and Distributed Computing Workshop to be held November 11-14, 1996. The purpose of this workshop is to familiarize researchers and programmers with the use of message passing to run parallel code on a cluster of homogeneous or heterogeneous machines. The goal is for a new user to successfully develop basic codes using message passing. There will be extensive talks and hands-on exercises on the Message Passing Interface (MPI). Participants must have prior experience with Fortran or C and with the UNIX operating system. Admission is free to the academic community. Interested corporate and government applicants should contact the PSC corporate liaison at (412) 268-4960 for information on attendance fees. Housing and travel are the responsibility of participants, but we will assist you in making reservations. Group rates on hotel accommodations are available on a first-come, first-served basis. To register, please complete and return the application form below by October 31, 1996 to: Workshop Application Committee ATTN: Dr. Marcela Madrid Pittsburgh Supercomputing Center 4400 Fifth Avenue Pittsburgh, PA 15213 You may also e-mail the form below to workshop@psc.edu or fax it to (412-268-5832). More information about PSC's educational and training efforts can be found at: http://www.psc.edu/general/education/education.html ***************************************************************************** MESSAGE PASSING AND DISTRIBUTED COMPUTING WORKSHOP Nov. 11-14, 1996 APPLICATION FORM Name:________________________________________________________________________ Department:__________________________________________________________________ Univ/Ind/Gov Affiliation:_______________________________________________________ Address:_____________________________________________________________________ _____________________________________________________________________________ Telephone:___________________________________________________________________ Electronic Mail Address:________________________________________________________ Social Security Number:__________________________ Citizenship:__________________ Are you a PSC User?____________________ If yes, username:_______________________ Academic Standing:_____________ F - Faculty UG - Undergraduate I - Industrial PD - Postdoctorate UR - University Research Staff GV - Government GS - Graduate Student UN - Univerisity Non-Research Staff O - Other: Would you like assistance with arranging hotel accommodations?__________________ Briefly describe your computing background (scalar, vector, parallel, platforms, languages) and research interests. _____________________________________________________________________________ _____________________________________________________________________________