From chemistry-request@server.ccl.net Fri Apr 13 02:59:26 2001 Received: from c0mailgw13.prontomail.com ([216.163.180.10]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3D6xQC07490 for ; Fri, 13 Apr 2001 02:59:26 -0400 Received: from mail18.prontomail.com (209.185.149.118) by c0mailgw13.prontomail.com (NPlex 5.1.050) id 3AD4942F0006A724 for chemistry@ccl.net; Fri, 13 Apr 2001 00:48:43 -0700 Received: from c0web15 (216.163.180.10) by mail18.prontomail.com (NPlex 2.0.123) for chemistry@ccl.net; Fri, 13 Apr 2001 00:48:43 -0700 From: "nahoko matsuzawa" Message-Id: Date: Fri, 13 Apr 2001 00:48:42 -0800 X-Priority: Normal Content-Type: text/plain; charset=ISO-8859-1 To: chemistry@ccl.net Subject: k-point for a one-d system X-Mailer: Web Based Pronto Mime-Version: 1.0 Content-Transfer-Encoding: 7bit dear all, I am now trying to use a planewave code to calculate a polymer. This should be a one dimension system. I used a tetragonal cell with about 15A in the x,y direction and repeating the structure in the z direction. Since it is one D, I used 4 k-points on the (0 0 z) axis. That all went fine, however when I accidentally did a calculation using a Monkhorst-Pack generated k points set of 12 points I got a total energy difference of 10 eV (with the value of the 12-points set being more negative). The 12-points-set is actually quite similar to the 4-points-set. The z components are the same, but the (x,y) components are now no longer (0,0) but substitute by three (x,y) combinations for every z value of the 4-points-set. What is the case for this large difference in total energy? Is the x-y direction of the unit cell not long enough? Thank you very much in advance for your answer. nahoko ________________________________________________________________ To get your free Web-based E-mail go to http://www.nandomail.com From chemistry-request@server.ccl.net Fri Apr 13 10:39:53 2001 Received: from medic.ibmh.msk.su ([195.178.207.130]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3DEdlC12061 for ; Fri, 13 Apr 2001 10:39:51 -0400 Received: from ibmh.msk.su (test.ibmh.msk.su [195.178.207.140]) by medic.ibmh.msk.su (8.9.3+Sun/8.8.6) with ESMTP id TAA14294; Fri, 13 Apr 2001 19:30:41 +0300 (EEST) Message-ID: <3AD71C07.3C715CA1@ibmh.msk.su> Date: Fri, 13 Apr 2001 19:32:23 +0400 From: Alexey Lagunin Reply-To: alex@ibmh.msk.su Organization: Institute of Biomedical Chemistry RAMS X-Mailer: Mozilla 4.75 [en] (Win98; U) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@server.ccl.net, CHMINF-L@LISTSERV.INDIANA.EDU, qsar_society@msi.com Subject: Solubility of substance in water, ethanol, methanol and DMSO? Content-Type: text/plain; charset=koi8-r Content-Transfer-Encoding: 7bit Dear Colleges, Could you advise me if there is any software, which can estimate the solubility of substance in water, ethanol, methanol and DMSO on the basis of structural formulae? And is there any one at free Internet access? Please, send your answers to Alexey Lagunin: alex@ibmh.msk.su Thank you in advance. From chemistry-request@server.ccl.net Fri Apr 13 16:06:02 2001 Received: from glamdring.memphis.edu ([141.225.223.241]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3DK5vC15167 for ; Fri, 13 Apr 2001 16:05:57 -0400 Received: from postoffice.memphis.edu (anduril.memphis.edu [141.225.223.242]) by glamdring.memphis.edu (8.10.1/8.10.1) with ESMTP id f3DK5vL06743 for ; Fri, 13 Apr 2001 15:05:57 -0500 (CDT) Received: from memphis.edu ([141.225.145.172]) by postoffice.memphis.edu (Netscape Messaging Server 4.15) with ESMTP id GBQYHW00.2R7 for ; Fri, 13 Apr 2001 15:05:56 -0500 Message-ID: <3AD75DA6.B63F75A7@memphis.edu> Date: Fri, 13 Apr 2001 15:12:23 -0500 From: Abby Parrill Organization: The University of Memphis X-Mailer: Mozilla 4.73 [en] (Win98; U) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: Fall ACS Call for Papers Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hello CCL-ers, There are still speaking slots available in the COMP division-sponsored symposium "Modeling Ligand Interactions with Membrane Proteins" to be held at the Chicago National ACS meeting, with an abstract deadline of 4/15/01. I would like to encourage those of you modeling ligands for membrane proteins by a variety of methods to submit abstracts for this symposium. Methods of interest include not only the development of membrane protein models and the subsequent modeling of their interactions with ligands, but also indirect methods to probe ligand interactions with membrane proteins (including QSAR and CoMFA). Regards, Abby _____________________________________________ Abby L. Parrill (901)678-2638 Assistant Professor (901)678-3447 Department of Chemistry University of Memphis Memphis, TN 38152 aparrill@memphis.edu Computational Research on Materials Institute at The University of Memphis (CROMIUM) _____________________________________________ From chemistry-request@server.ccl.net Fri Apr 13 03:22:32 2001 Received: from nenuphar.saclay.cea.fr ([132.166.192.7]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3D7MVC07936 for ; Fri, 13 Apr 2001 03:22:31 -0400 Received: from muguet.saclay.cea.fr (muguet.saclay.cea.fr [132.166.192.6]) by nenuphar.saclay.cea.fr (8.9.1a/8.9.1/CEAnet-relay-5.0.D20+Y2K) with ESMTP id KAA02894 for ; Fri, 13 Apr 2001 10:16:23 +0200 (MET DST) Received: from petunia1.bruyeres.cea.fr (petunia.bruyeres.cea.fr [132.165.64.1]) by muguet.saclay.cea.fr (8.9.1a/8.9.1/CEAnet-relay-5.2.D20+Y2K) with ESMTP id KAA04138 for ; Fri, 13 Apr 2001 10:16:23 +0200 (MET DST) Received: from styx.bruyeres.cea.fr (styx-e76.bruyeres.cea.fr [132.165.76.3]) by petunia1.bruyeres.cea.fr (8.9.3+Sun/jtpda-5.3.2) with ESMTP id KAA15652 for ; Fri, 13 Apr 2001 10:16:21 +0200 (MET DST) Received: by styx.bruyeres.cea.fr; id KAA10640; Fri, 13 Apr 2001 10:16:21 +0200 (MET DST) Message-Id: <200104130816.KAA10640@styx.bruyeres.cea.fr> Sender: Didier.MATHIEU@cea.fr Date: Fri, 13 Apr 2001 10:16:37 +0200 From: Didier MATHIEU X-Mailer: Mozilla 4.72 [fr] (X11; U; Linux 2.2.14-5.0 i686) X-Accept-Language: en MIME-Version: 1.0 To: chemistry@ccl.net Subject: Hirshfeld atomic charges Content-Type: multipart/alternative; boundary="------------1CF182AFFF824F9A1F871FBD" --------------1CF182AFFF824F9A1F871FBD Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi, I am interested in calculating Hirshfeld atomic charges as I read in recent papers that they seem better than other partioning schemes for condensed Fukui functions. In addition to free quantum chemistry programs I have access to Jaguar. Do you know if there are any free program for calculation of Hirshfeld charges ? Otherwise, is it reasonable for this purpose to sample the electron density with a simple rectangular grid, or do people use some tricks to exploit the near-sphericity on n(r) close to nuclei or the gaussian representation of orbitals ? (Sorry if this question is redundant with the original papers). Regards, -- Didier Mathieu CEA - Le Ripault BP 16 37260 Monts +33 02 47 34 41 85 --------------1CF182AFFF824F9A1F871FBD Content-Type: text/html; charset=us-ascii Content-Transfer-Encoding: 7bit Hi,
I am interested in calculating Hirshfeld atomic charges as I read in recent papers that they seem better than other partioning schemes for condensed Fukui functions.
In addition to free quantum chemistry programs I have access to Jaguar.
Do you know if there are any free program for calculation of Hirshfeld charges ?
Otherwise, is it reasonable for this purpose to sample the electron density with a simple rectangular grid,
or do people use some tricks to exploit the near-sphericity on n(r) close to nuclei or the gaussian representation of orbitals ?
(Sorry if this question is redundant with the original papers).

Regards, 

-- 
Didier Mathieu
CEA - Le Ripault
BP 16
37260 Monts
+33 02 47 34 41 85
  --------------1CF182AFFF824F9A1F871FBD-- From chemistry-request@server.ccl.net Fri Apr 13 06:06:53 2001 Received: from mailhost.msi.com ([146.202.0.242]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3DA6qC09249 for ; Fri, 13 Apr 2001 06:06:52 -0400 Received: (from daemon@localhost) by mailhost.msi.com (980427.SGI.8.8.8/970903.SGI.AUTOCF) id DAA28099 for ; Fri, 13 Apr 2001 03:58:48 -0700 (PDT) Received: from dial1.msi.com(146.202.9.101) by mailhost.msi.com via smap (V2.0) id xmafa7268; Fri, 13 Apr 01 03:58:14 -0700 Message-Id: <5.0.2.1.0.20010412193603.00a9d060@mica.msi.com> X-Sender: dje@mica.msi.com X-Mailer: QUALCOMM Windows Eudora Version 5.0.2 Date: Thu, 12 Apr 2001 20:04:42 -0700 To: CHEMISTRY@ccl.net From: David Edwards Subject: RE: CCL:(Sad) news about insightII on Linux Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii"; format=flowed Hi, I'd like to clarify a couple of points regarding access of Insight II from a remote machine. 1. The -axxess command does provide "true" support for running Insight II over X windows, it is not a separate implementation but part of the program. We have tested this on a variety of different X clients. 2. Dr. Gillies is correct that we developed the OpenGL version of Insight II based on SGI's standard implementation of OpenGL. We have not tested the OpenGL under Xfree86 and until I became aware of this discussion thread have not received requests for support of OpenGL under this system. I cannot comment on what features Xfree86 does and does not support only that we believe we are using standard OpenGL calls. Regards David Edwards ----------------------------------------------------------------------------------------- David J. Edwards, Ph.D. dje@msi.com Senior Product Manager, Structural Proteomics Tel: (858) 799 5374 Simulations & Modeling Product Division Fax: (858) 458 0136 Molecular Simulations Inc. http://www.msi.com 9685 Scranton Road San Diego, CA 92121-3752. ------------------------------------------------------------------------------------------ From chemistry-request@server.ccl.net Fri Apr 13 07:52:02 2001 Received: from hotmail.com ([216.32.180.107]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3DBq2C10529 for ; Fri, 13 Apr 2001 07:52:02 -0400 Received: from mail pickup service by hotmail.com with Microsoft SMTPSVC; Fri, 13 Apr 2001 05:42:54 -0700 X-Originating-IP: [62.29.100.157] From: "OBU" To: Subject: SUMMARY "umbrella sampling" Date: Fri, 13 Apr 2001 15:42:12 +0300 MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_006B_01C0C430.4E7C09C0" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2314.1300 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2314.1300 Message-ID: X-OriginalArrivalTime: 13 Apr 2001 12:42:54.0273 (UTC) FILETIME=[42580310:01C0C417] This is a multi-part message in MIME format. ------=_NextPart_000_006B_01C0C430.4E7C09C0 Content-Type: text/plain; charset="iso-8859-9" Content-Transfer-Encoding: quoted-printable Sorry for being to late here is the 2 replies to the question Dear List Members > I'll be carrying out some molecular simulations using MC and I am = interested > in implementing umbrella sampling. > Where can I get info and/or application examples about umbrella = sampling > (those using Monte Carlo method) on the internet? > > Thanks in advance > Sincerely > > Berk USTA -------------------------------------------------------------------------= -------------------------------------------------- Try 1. http://molsim.chem.uva.nl/course/course/node26.html 2. = http://cartan.gmd.de/compchem/hoffmann/teaching/MolMod/Umbrella/node3.htm= l 3. http://jcc.edoc.com/0192-8651/abs/v18n12p1450.html Hope this helps. Richard > > -- Richard L. Wood, Ph. D. Physical/Computational Chemist Post-doctoral Associate Cornell University, Ithaca, NY 14853 -------------------------------------------------------------------------= ----- Hi, you can look at my lab's website at http://inka.mssm.edu/~mezei where there are several porgrams available. The program MMC does molecular MC, and umbrella sampling is included. Adaptive umbrella sampling (AUS) Bis also implemented = (actually, I am at the moment in the process of cleaning up that part of the code). The website also has a few MS copies dealing with AUS. Regards, Mihaly Mezei, Dept. of Physiology & Biophysics, Mount Sinai School of Medicine Voice: (212) 241-2186 Fax: (212) 860-3369| WWW: http:// = adsr13.mssm.edu/domains/dept/facultyInfo.epl?objname=3Dphysbio&user=3Dmez= eim01 ------=_NextPart_000_006B_01C0C430.4E7C09C0 Content-Type: text/html; charset="iso-8859-9" Content-Transfer-Encoding: quoted-printable
Sorry for being to late here is the 2 = replies to=20 the question
 
Dear List Members
> I'll be = carrying out some=20 molecular simulations using MC and I am interested
> in = implementing=20 umbrella sampling.
> Where can I get info and/or application = examples=20 about umbrella sampling
> (those using Monte Carlo method) on the=20 internet?
>
> Thanks in advance
> = Sincerely
>
>=20 Berk USTA

----------------------------------------------------------------= -----------------------------------------------------------
Try

1.  http://molsi= m.chem.uva.nl/course/course/node26.html
2. =20 http://cartan.gmd.de/compchem/hoffmann/teaching/MolMod/Umbrell= a/node3.html
3. =20 http://jcc.ed= oc.com/0192-8651/abs/v18n12p1450.html

Hope=20 this helps.

Richard

>
>

--
Richard L. = Wood, Ph.=20 D.
Physical/Computational Chemist
Post-doctoral = Associate
Cornell=20 University, Ithaca, NY=20 14853

------------------------------------------------------------= ------------------
Hi,

you can look at my lab's = website=20 at

http://inka.mssm.edu/~mezei=20 where there are several porgrams
available. The program MMC does = molecular=20 MC, and umbrella sampling is
included. Adaptive umbrella sampling = (AUS) Bis=20 also implemented (actually,
I am at the moment in the process of = cleaning up=20 that part of the code).

The website also has a few MS copies = dealing with=20 AUS.

Regards,
Mihaly Mezei,

Dept. of Physiology &=20 Biophysics, Mount Sinai School of=20 Medicine
           = Voice:=20 (212) 241-2186     Fax: (212)=20 860-3369|
          =       =20 WWW:=20 http://
 adsr13.mssm.edu/domains/dept/facultyInfo.epl?objname=3Dp= hysbio&user=3Dmezeim01





------=_NextPart_000_006B_01C0C430.4E7C09C0-- From chemistry-request@server.ccl.net Fri Apr 13 07:58:37 2001 Received: from mserv.itpa.lt ([193.219.53.20]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3DBwRC10555 for ; Fri, 13 Apr 2001 07:58:28 -0400 Received: from localhost (tamulis@localhost) by mserv.itpa.lt (8.11.1/8.11.0) with ESMTP id f3DCq8k10514 for ; Fri, 13 Apr 2001 14:52:12 +0200 (EET) (envelope-from tamulis@itpa.lt) Date: Fri, 13 Apr 2001 14:52:08 +0200 (EET) From: Arvydas Tamulis To: Subject: The Fifth Multi-Conference on Systemics, Cybernetics and Informatics Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Madams/Sirs, On behalf of the SCI 2001 Organizing Committee we would like to invite you to participate in The Fifth Multi-Conference on Systemics, Cybernetics and Informatics, Invited Session: "Elementar Processes in Atomic-Molecular Level of Classical, Quantum and DNA Computintg". which will be held in Orlando, Florida, USA, from July 22 - 25, 2001. Therefore, we are sending you the respective Call for Papers. We are making emphasis on the area of Nanotechnologies. You can find information about the suggested steps for invited session organization in the Call for papers and in the conference web site (http://www.iiis.org/sci/). Could you please deliver the Call for Papers we are sending you? If you need a detailed Call for Papers don't hesitate in asking us for it. Best Regards, Dr. Arvydas Tamulis Doctor of Natural Sciences, senior research fellow Institute of Theoretical Physics and Astronomy, A. Gostauto 12, Vilnius 2600, Lithuania e-mail: TAMULIS@ITPA.lt; WEBsite: http://www.itpa.lt/~tamulis/ fax: +(370-2)-225361 or +(370-2)-224694 Phone: +(370-2)-620861 Home address: Didlaukio 27-40, Vilnius 2057, Lithuania Phone: +(370-2)-778743 and Professor Nagib Callaos General Chair SCI 2001 IEEE/Computer Society (Chapter: Venezuela) Chair CALL FOR PAPERS THE 5TH WORLD MULTICONFERENCE ON SYSTEMICS, CYBERNETICS AND INFORMATICS SCI'2001 July, 22-25, 2001 Orlando, Florida(USA) Sheraton World http://www.iiis.org/sci/ Honorary Presidents: Bela Banathy, Stafford Beer and George Klir Program Committee Chair: William Lesso General Chair: Nagib Callaos Organizing Committee Chair: Belkis Sanchez MAJOR THEMES * Elementar Computing Processes in Atomic-Molecular Level * Information Systems Development * Information Systems Management * Management Information Systems * Virtual Engineering * Mobile/Wireless Computing * Communication Systems and Networks * Emergent Computation * Image,Acoustic,Speech and Signal Processing * Computing Techniques * Human Information Systems * Education and Information Systems * Control Systems * Economic and Financial Systems * SCI in Biology and Medicine * SCI in Psychology, Cognition and Spirituality * Conceptual Infrastructure of SCI * Natural Resources * Human Resources * Globalization, Development and Emerging Economies * SCI in Art ACADEMIC AND SCIENTIFIC CO-SPONSORS WOSC: World Organization on Systemics and Cybernetics (France) The Center for Systems Studies (UK) Systems Society of Poland Society Applied Systems Research (Canada) Slovenian Artificial Intelligence Society Simon Bolivar University (Venezuela) Polish System Society (Poland) Italian Society of Systemics ISSS: International Society for the Systems Sciences (USA) ISI: The International Systems Institute (USA) IFSR: International Federation of Systems Research (Austria/USA) IEEE / Latinamerica Cybernetics and Human Knowing: A Journal of Second Order Cybernetics and Cybersemiotics (Denmark) CUST, Engineer Science Institute of the Blaise Pascal University (France) Concurrency and Architecture Group, the Telematics Engineering Department of The Univesity of Las Palmas of Gran Canaria (Spain). The Tunisian Scientific Society (Tunisia). ORGANIZED BY THE IIIS The International Institute of Informatics and Systemics. PARTICIPANTS Participation of both researchers and practitioners is strongly encouraged. Papers may be submitted on: research in science and engineering, case studies drawn on professional practice and consulting, and position papers based on large and rich experience gained through executive/managerial practices and decision-making. For this reason, the Program Committee is conformed according to the criteria given above. TYPES OF SUBMISSION ACCEPTED 1.Papers * Research * Review * Position * Report 2.Panel Presentation, Workshop and/or Round Table Proposals 3.New Topics and Invited Sessions Proposals(which should include a minimum of 5 papers) 4.Focus Symposia (which should include a minimum of 15 papers) EXTENDED ABSTRACTS AND PAPER DRAFTS SUBMISSION FORM Extended abstracts or paper drafts should be sent taking into account the following format: 1. Major theme of the paper, related to the major themes given above. 2. Paper title. 3. Extended abstract of 500 to 1500 words and/or paper drafts of 2000 to 5000 words, in English. 4. Author or co-authors with names, addresses, telephone number, fax number and e-mail address. Extended abstracts or paper drafts should be sent to the conference web site (http://www.iiis.org/sci/),filling the respective form and uploading the respective paper or extended abstract.If the conference web site is not accessible for you, you can also make your submission by internet, or attach it to the following address nacallao@telcel.net.ve and WMSCI2001@aol.com. DEADLINES April 25, 2001. Submission of extended abstracts (500-1500 words) or paper draft(2000-5000 words) April 25, 2001. Deadline for invited session proposals. May 09, 2001. Deadline for papers acceptation's. May 23, 2001. Deadline for camera-ready papers: hard copies and electronic versions Note: These deadlines differ from the established deadlines in the web page. PAPERS REVIEWING AND PUBLICATION Submitted papers will be checked. Accepted papers, which should not exceed six single-spaced typed pages, will be published by means of paper and electronicproceedings. The Papers should be sent by internet and by means of diskette and photoready hard copies of artwork. Best papers will be selected for awards and recommended for journal publications. Multiple author books will be published by IIIS, based on the best-invited sessions, the best focus symposia or best mini-conferences. PROGRAM COMMITTEE Integrated by (210) prestigious scholars/researchers from 54 countries. Details can be found in the conference web site (http://www.iiis.org/sci/), or asked for a detailed Call For Papers by e-mail. CONFERENCE FEES The conference fees will be $330 before the Camera Ready deadline, and $380 after the Camera Ready deadline. This fee will include: * A CD-ROM version of the Proccedings * One volumen of the hard copy version of the Conference Proceeding. (Other volumes will be available with a 30% of discount for participants) * Coffee breaks * Welcome Reception CONFERENCE CONTACTS Dr. Arvydas Tamulis Chair of Invited Session "Elementar Processes in Atomic-Molecular Level of Classical, Quantum and DNA Computing" Institute of Theoretical Physics and Astronomy, A. Gostauto 12, Vilnius 2600, Lithuania e-mail: TAMULIS@ITPA.lt; WEBsite: http://www.itpa.lt/~tamulis/ fax: +(370-2)-225361 or +(370-2)-224694 Phone: +(370-2)-620861 Home address: Didlaukio 27-40, Vilnius 2057, Lithuania Phone: +(370-2)-778743 and Prof. Nagib Callaos (General Chair) E -mails: ncallaos@ usb.ve(Academic) ncallaos@ aol.com(Personal) ncallaos@ Callaos.com(Business) callaos@ telcel.net.ve USA Phone: +1 USA Fax: +1 (407) 856-6274 Venezuela Tel/Fax (office): +58 (2) 962-1519 Venezuela Fax (office): +58 (2) 272-2832 Conference Secretariat scio98@cantv.net Other contacts and More details can be found at the Conference web site (http://www.iiis.org/sci/). Answers to specific questions can also be requested by e-mail. From chemistry-request@server.ccl.net Fri Apr 13 09:08:38 2001 Received: from mserv.itpa.lt ([193.219.53.20]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f3DD8QC11128 for ; Fri, 13 Apr 2001 09:08:31 -0400 Received: from localhost (tamulis@localhost) by mserv.itpa.lt (8.11.1/8.11.0) with ESMTP id f3DDvDR10877; Fri, 13 Apr 2001 15:57:19 +0200 (EET) (envelope-from tamulis@itpa.lt) Date: Fri, 13 Apr 2001 15:57:12 +0200 (EET) From: Arvydas Tamulis To: cc: , , , , , , , , , , , , , , , Subject: The Fifth Multi-Conference on Systemics, Cybernetics and Informatics In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear Madams/Sirs, On behalf of the SCI 2001 Organizing Committee we would like to invite you to participate in The Fifth Multi-Conference on Systemics, Cybernetics and Informatics, Invited Session: "Elementar Processes in Atomic-Molecular Level of Classical, Quantum and DNA Computintg". which will be held in Orlando, Florida, USA, from July 22 - 25, 2001. Therefore, we are sending you the respective Call for Papers. We are making emphasis on the area of Nanotechnologies. You can find information about the suggested steps for invited session organization in the Call for papers and in the conference web site (http://www.iiis.org/sci/). Could you please deliver the Call for Papers we are sending you? If you need a detailed Call for Papers don't hesitate in asking us for it. Best Regards, Dr. Arvydas Tamulis Doctor of Natural Sciences, senior research fellow Institute of Theoretical Physics and Astronomy, A. Gostauto 12, Vilnius 2600, Lithuania e-mail: TAMULIS@ITPA.lt; WEBsite: http://www.itpa.lt/~tamulis/ fax: +(370-2)-225361 or +(370-2)-224694 Phone: +(370-2)-620861 Home address: Didlaukio 27-40, Vilnius 2057, Lithuania Phone: +(370-2)-778743 and Professor Nagib Callaos General Chair SCI 2001 IEEE/Computer Society (Chapter: Venezuela) Chair CALL FOR PAPERS THE 5TH WORLD MULTICONFERENCE ON SYSTEMICS, CYBERNETICS AND INFORMATICS SCI'2001 July, 22-25, 2001 Orlando, Florida(USA) Sheraton World http://www.iiis.org/sci/ Honorary Presidents: Bela Banathy, Stafford Beer and George Klir Program Committee Chair: William Lesso General Chair: Nagib Callaos Organizing Committee Chair: Belkis Sanchez MAJOR THEMES * Elementar Computing Processes in Atomic-Molecular Level * Information Systems Development * Information Systems Management * Management Information Systems * Virtual Engineering * Mobile/Wireless Computing * Communication Systems and Networks * Emergent Computation * Image,Acoustic,Speech and Signal Processing * Computing Techniques * Human Information Systems * Education and Information Systems * Control Systems * Economic and Financial Systems * SCI in Biology and Medicine * SCI in Psychology, Cognition and Spirituality * Conceptual Infrastructure of SCI * Natural Resources * Human Resources * Globalization, Development and Emerging Economies * SCI in Art ACADEMIC AND SCIENTIFIC CO-SPONSORS WOSC: World Organization on Systemics and Cybernetics (France) The Center for Systems Studies (UK) Systems Society of Poland Society Applied Systems Research (Canada) Slovenian Artificial Intelligence Society Simon Bolivar University (Venezuela) Polish System Society (Poland) Italian Society of Systemics ISSS: International Society for the Systems Sciences (USA) ISI: The International Systems Institute (USA) IFSR: International Federation of Systems Research (Austria/USA) IEEE / Latinamerica Cybernetics and Human Knowing: A Journal of Second Order Cybernetics and Cybersemiotics (Denmark) CUST, Engineer Science Institute of the Blaise Pascal University (France) Concurrency and Architecture Group, the Telematics Engineering Department of The Univesity of Las Palmas of Gran Canaria (Spain). The Tunisian Scientific Society (Tunisia). ORGANIZED BY THE IIIS The International Institute of Informatics and Systemics. PARTICIPANTS Participation of both researchers and practitioners is strongly encouraged. Papers may be submitted on: research in science and engineering, case studies drawn on professional practice and consulting, and position papers based on large and rich experience gained through executive/managerial practices and decision-making. For this reason, the Program Committee is conformed according to the criteria given above. TYPES OF SUBMISSION ACCEPTED 1.Papers * Research * Review * Position * Report 2.Panel Presentation, Workshop and/or Round Table Proposals 3.New Topics and Invited Sessions Proposals(which should include a minimum of 5 papers) 4.Focus Symposia (which should include a minimum of 15 papers) EXTENDED ABSTRACTS AND PAPER DRAFTS SUBMISSION FORM Extended abstracts or paper drafts should be sent taking into account the following format: 1. Major theme of the paper, related to the major themes given above. 2. Paper title. 3. Extended abstract of 500 to 1500 words and/or paper drafts of 2000 to 5000 words, in English. 4. Author or co-authors with names, addresses, telephone number, fax number and e-mail address. Extended abstracts or paper drafts should be sent to the conference web site (http://www.iiis.org/sci/),filling the respective form and uploading the respective paper or extended abstract.If the conference web site is not accessible for you, you can also make your submission by internet, or attach it to the following address nacallao@telcel.net.ve and WMSCI2001@aol.com. DEADLINES April 25, 2001. Submission of extended abstracts (500-1500 words) or paper draft(2000-5000 words) April 25, 2001. Deadline for invited session proposals. May 09, 2001. Deadline for papers acceptation's. May 23, 2001. Deadline for camera-ready papers: hard copies and electronic versions Note: These deadlines differ from the established deadlines in the web page. PAPERS REVIEWING AND PUBLICATION Submitted papers will be checked. Accepted papers, which should not exceed six single-spaced typed pages, will be published by means of paper and electronicproceedings. The Papers should be sent by internet and by means of diskette and photoready hard copies of artwork. Best papers will be selected for awards and recommended for journal publications. Multiple author books will be published by IIIS, based on the best-invited sessions, the best focus symposia or best mini-conferences. PROGRAM COMMITTEE Integrated by (210) prestigious scholars/researchers from 54 countries. Details can be found in the conference web site (http://www.iiis.org/sci/), or asked for a detailed Call For Papers by e-mail. CONFERENCE FEES The conference fees will be $330 before the Camera Ready deadline, and $380 after the Camera Ready deadline. This fee will include: * A CD-ROM version of the Proccedings * One volumen of the hard copy version of the Conference Proceeding. (Other volumes will be available with a 30% of discount for participants) * Coffee breaks * Welcome Reception CONFERENCE CONTACTS Dr. Arvydas Tamulis Chair of Invited Session "Elementar Processes in Atomic-Molecular Level of Classical, Quantum and DNA Computing" Institute of Theoretical Physics and Astronomy, A. Gostauto 12, Vilnius 2600, Lithuania e-mail: TAMULIS@ITPA.lt; WEBsite: http://www.itpa.lt/~tamulis/ fax: +(370-2)-225361 or +(370-2)-224694 Phone: +(370-2)-620861 Home address: Didlaukio 27-40, Vilnius 2057, Lithuania Phone: +(370-2)-778743 and Prof. Nagib Callaos (General Chair) E -mails: ncallaos@ usb.ve(Academic) ncallaos@ aol.com(Personal) ncallaos@ Callaos.com(Business) callaos@ telcel.net.ve USA Phone: +1 USA Fax: +1 (407) 856-6274 Venezuela Tel/Fax (office): +58 (2) 962-1519 Venezuela Fax (office): +58 (2) 272-2832 Conference Secretariat scio98@cantv.net Other contacts and More details can be found at the Conference web site (http://www.iiis.org/sci/). Answers to specific questions can also be requested by e-mail. From chemistry-request@server.ccl.net Fri Apr 13 13:10:47 2001 Received: from web13408.mail.yahoo.com ([216.136.175.66]) by server.ccl.net (8.11.0/8.11.0) with SMTP id f3DHAkC13833 for ; Fri, 13 Apr 2001 13:10:46 -0400 Message-ID: <20010413180438.3254.qmail@web13408.mail.yahoo.com> Received: from [169.232.140.207] by web13408.mail.yahoo.com; Fri, 13 Apr 2001 11:04:38 PDT Date: Fri, 13 Apr 2001 11:04:38 -0700 (PDT) From: eric hu Subject: molscript Makefile.complete for redhat 7.0 To: chemistry@ccl.net MIME-Version: 1.0 Content-Type: text/plain; charset=us-ascii Hi, guys I'm trying to compile molscript 2.1.2 on the redhat 7.0. There's always an error about clib/clib.a. I wonder if any of you have the Makefile. Thanks! Eric __________________________________________________ Do You Yahoo!? Get email at your own domain with Yahoo! Mail. http://personal.mail.yahoo.com/