From owner-chemistry@ccl.net Tue Jun 6 05:18:01 2006 From: "Van Dam, HJJ \(Huub\) h.j.j.vandam*o*dl.ac.uk" To: CCL Subject: CCL: X-window Software with OpenGL Message-Id: <-31903-060606051624-29723-cRlD16hKitVtnexxggq5qw[*]server.ccl.net> X-Original-From: "Van Dam, HJJ \(Huub\)" Content-Class: urn:content-classes:message Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="us-ascii" Date: Tue, 6 Jun 2006 09:35:08 +0100 MIME-Version: 1.0 Sent to CCL by: "Van Dam, HJJ \(Huub\)" [h.j.j.vandam+*+dl.ac.uk] Hi, I am not sure whether I understand your question but if you are looking for OpenGL capable X-window servers then I know of the following options: Under Linux X-windows will be present already but you may have to install an OpenGL library yourself. A good point to start is http://www.mesa3d.org . Under Windows you normally don't have either X-windows or OpenGL. However cygwin offers an OpenGL capable X-window server. You will need to start this thing from within the cygwin shell using the "startx" command. I hope this is the information you were looking for. Best wishes, Huub ========================================================== Huub van Dam (h.j.j.vandam|dl.ac.uk, +44-1925-603933) ========================================================== -----Original Message----- > From: owner-chemistry|ccl.net [mailto:owner-chemistry|ccl.net] Sent: 05 June 2006 23:18 To: Vandam, Huub Subject: CCL: X-window Software with OpenGL Sent to CCL by: "Young Leh" [youngleh!^!gmail.com] Dear CCLer, Could somebody please recommend any FREE X-win software that supports OpenGL? Thanks and have a nice day. Regards, Young Lehhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Tue Jun 6 06:35:00 2006 From: "=?big5?B?vkcgqXmp+g==?= honestcym-$-hotmail.com" To: CCL Subject: CCL:G: Gaussian error : any help? Message-Id: <-31904-060606054115-8741-r6000VgAEz+2AFqTn6jIpg{=}server.ccl.net> X-Original-From: =?big5?B?vkcgqXmp+g==?= Content-Type: text/plain; charset=big5; format=flowed Date: Tue, 06 Jun 2006 16:53:56 +0800 Mime-Version: 1.0 Sent to CCL by: =?big5?B?vkcgqXmp+g==?= [honestcym=hotmail.com] Hi, Please check the output file of your calculation. Then you will find that the job actually fails to converge in the end. Consequently, the program stoped via link 9999 automatically. There are several ways to restart your job. First, increases the total number of SCF iterations using the keyword " MaxCycle=N ". Second, continue your calculation from the last updated geometry if your job is to optimize the structure. As for the other methods, please refer to the manual of gaussian program which provides several alternatives to solve the convergence problem. Yi-Ming Cheng >From: "Mahmud Jelill mjelill!^!hiroshima-u.ac.jp" >Reply-To: "CCL Subscribers" >To: "Cheng, Yi ming " >Subject: CCL:G: Gaussian error : any help? >Date: Thu, 1 Jun 2006 08:56:52 -0400 > >Sent to CCL by: "Mahmud Jelill" [mjelill###hiroshima-u.ac.jp] >This is a multi-part message in MIME format. > >------=_NextPart_000_000D_01C685A9.6A824F90 >Content-Type: text/plain; > charset="gb2312" >Content-Transfer-Encoding: quoted-printable > >Dear CCLers, > I have this error reoccuring with a number of different calculations > sometimes at the beginning sometimes after a day or so calculation > time. Any help? > > > Error termination request processed by link 9999. > Error termination via Lnk1e in /usr/local/intel/g03/l9999.exe at Thu = >Jun 1 16:23:59 2006. > Job cpu time: 0 days 5 hours 22 minutes 24.2 seconds. > File lengths (MBytes): RWF=3D 11 Int=3D 0 D2E=3D 0 = >Chk=3D 4 Scr=3D 1 > Job cpu time: 0 days 5 hours 16 minutes 17.5 seconds. > >Best regards > >M Jelill > >****************************************** >****************************************** >Mahmud Jelill >Center for Quanrum Life Science and, >Graduate School of Science, >Hiroshima University, >Kagamiyama 1-3-1 ,Higashi Hiroshima, =20 >Hiroshima=20 >Japan, 739-8526 >****************************************** >****************************************** > >------=_NextPart_000_000D_01C685A9.6A824F90 >Content-Type: text/html; > charset="gb2312" >Content-Transfer-Encoding: quoted-printable > > > > > > > > >
Dear CCLers,
 I have this error = >reoccuring=20 >with a number of different calculations
 sometimes at the = >beginning=20 >sometimes after a day or so calculation
 time.  Any=20 >help?
>
 
>

  Error termination request processed by link = >9999.
 Error=20 >termination via Lnk1e in /usr/local/intel/g03/l9999.exe at Thu Jun  = >1=20 >16:23:59 2006.
 Job cpu time:  0 days  5 hours 22 = >minutes 24.2=20 >seconds.
 File lengths (MBytes):  = >RWF=3D     11=20 >Int=3D      0 = >D2E=3D      0=20 >Chk=3D      4 = >Scr=3D     =20 >1
  Job cpu time:  0 days  5 hours 16 minutes 17.5=20 >seconds.
>
Best regards
>
 
>
M Jelill
>
 
>
******************************************
**********************= >********************
Mahmud=20 >Jelill
>
Center for Quanrum Life Science and,
Graduate School of=20 >Science,
Hiroshima University,
Kagamiyama 1-3-1 ,Higashi = >Hiroshima, =20 >
Hiroshima
Japan,=20 >739-8526
******************************************
***************= >***************************
 > >------=_NextPart_000_000D_01C685A9.6A824F90--> > > _________________________________________________________________ MSN Messenger 7.5 正式版熱烈下載中：別錯過超酷的語音留言 http://messenger.msn.com.tw/ From owner-chemistry@ccl.net Tue Jun 6 12:39:00 2006 From: "Barry Hardy barry.hardy{=}tiscalinet.ch" To: CCL Subject: CCL: Electronic Lab Notebooks supporting R&D - Join us for an Open Event in Oxford Message-Id: <-31905-060606122544-9825-8HcWlo0Jz6biAA+v272zfg!^!server.ccl.net> X-Original-From: Barry Hardy Content-Type: multipart/alternative; boundary="=====================_2466311==_.ALT" Date: Tue, 06 Jun 2006 18:26:02 +0200 Mime-Version: 1.0 Sent to CCL by: Barry Hardy [barry.hardy]_[tiscalinet.ch] --=====================_2466311==_.ALT Content-Type: text/plain; charset="iso-8859-1"; format=flowed Content-Transfer-Encoding: quoted-printable We are holding the following Open Event at Oxford University on discussing= =20 Electronic Lab Notebooks in supporting R&D on July 6. For those of you=20 able to make this free event, please simply send an RSVP to=20 innovationwell : douglasconnect.com. We are also holding workshops the same week in Oxford on a) Drug Discovery= =20 Informatics and b) Innovation & Knowledge Management in R&D and Product=20 Development which may be of interest to you and are described at the end of= =20 this email. Attractive discounts are available for participants from small= =20 and medium-sized companies or academic organisations. best regards Barry Hardy Community of Practice Manager Douglas Connect, Switzerland +41 61 851 0170 InnovationWell Open Seminar & Reception The Electronic Laboratory Notebook - Systems for Managing Research= Knowledge, Supporting Collaboration and Driving Innovation Wolfson Seminar Room Chemistry Research Laboratory Mansfield Road, Oxford University Thursday July 6, 4.30pm-8pm Join us to discuss the emerging roles of Electronic Laboratory Notebooks in= =20 managing multidisciplinary research activities, innovation and collaboration This is an Open Seminar and involves no registration fee. However seated=20 places are limited and will be restricted to a confirmed guest list. Please= =20 send an RSVP with your name and organisation via email to=20 innovationwell : douglasconnect.com Agenda 4.30pm Welcome coffee 5.00pm Electronic Laboratory Notebooks and the Management of Modern=20 Scientific Research and Development - an Industry Perspective John Trigg, Managing Director, phaseFour Informatics, UK John Trigg has over 20 years=92 experience of working in the field of R&D=20 data, information and knowledge management including 10 years experience of= =20 the world=92s first enterprise level implementation of an Electronic Lab=20 Notebook at Kodak. He will provide an overview of the critical emerging=20 role of ELNs in modern industry research. 5.30pm Electronic Laboratory Notebooks as Engines of Knowledge for Research= =20 and Development - a Knowledge Management Perspective Dr. Barry Hardy, Founder of the InnovationWell and eCheminfo Communities of= =20 Practice and Director, Knowledge Management Institute, Switzerland Barry Hardy will provide an overview of the critical knowledge management=20 strategies and methodologies for enabling productivity and successful=20 outcomes in collaborative-based R&D. He will discuss knowledge assessment=20 approaches aimed at the continuous improvement of the innovation and=20 performance of the R&D organisation and its support ELN systems. 6.00pm ELN Framework Requirements to Support Collaborative=20 Multidisciplinary R&D =96 A Solutions Perspective Dr. Jeff Spitzner, President & Chief Science Officer, Rescentris; Ohio, USA Jeff Spitzner is a leading expert in bioinformatics, knowledge management,= =20 and electronic laboratory notebook systems. In 1997 he co-authored the BSML= =20 data standard for bioinformatics, the pioneering XML technology in the life= =20 sciences; today he provides the vision and guides the development of=20 Rescentris=92 products. He will discuss the design and implementation of=20 collaboration frameworks for the management of scientific research, and the= =20 role of semantic web technologies in record-keeping solutions that support= =20 the integrated R&D organization. 6.30pm Panel Discussion with Audience The speakers and audience will discuss Electronic Laboratory Notebooks and= =20 their role in managing and supporting R&D in today=92s complex=20 multidisciplinary scientific environment. 7.00pm Reception Drinks, Snacks, Software Demos =85 and more discussions! Followed by dinner= =20 out for those interested. This event takes place alongside the following workshop activities running= =20 in Oxford that week: Innovation & Knowledge Management in Research & Product Development a 3 day Interactive Management Workshop, 5-7 July 2006 Chemistry Research Laboratory, Oxford University, Oxford, UK led by leading industry experts and practitioners including Victor Newman,= =20 Paul Lefrere, David Gurteen, David Snowden, Jeff Spitzner, John Trigg, Iain Bitran and=20 Barry Hardy Program Brochure: http://barryhardy.blogs.com/theferryman/files/innovationwellrd_oxford_web1.P= DF These workshops are aimed to bring leading best practice and issue=20 discussion to industry researchers and managers striving to use the latest= =20 innovation and knowledge management techniques and tools to maximise=20 productivity and return in investment from R&D activities. Workshop groups= =20 will work through and discuss complex issues highlighted by detailed case=20 studies presented by instructors. The following topics will be discussed: Strategic Knowledge Management in R&D Intellectual Property, Licensing & Valuation Effective Deployment Strategies for Electronic Laboratory Notebooks Knowledge Assessment & Auditing Ontologies & Knowledge Discovery Integrating Innovation Management & Research Activities Communication & Collaboration between Research Teams & Partners Organisational Development & Culture in R&D Decision Support for Research Project & Portfolio Management Integration of Tools & Data in R&D Complex Systems Approaches to Product Development More Information at: http://innovationwell.net/COMTY_rpdtraining/ & http://barryhardy.blogs.com/ Latest Advances in Drug Discovery Design & Planning Methods a Hands-on 5 Day eCheminfo Advanced Training Workshop Week 3-7 July 2006, Oxford University, Oxford, UK These workshops are aimed to provide a set of stimulating workshops using=20 latest advanced modelling techniques of relevance to chemists, life=20 scientists and modellers working in drug discovery. Participants should=20 return to their labs with new ideas, best practices and software=20 experiences to maximise productivity in their own drug discovery research=20 activities. You can download a copy of the program brochure from: http://barryhardy.blogs.com/cheminfostream/files/eChemProgramOxford06-v7web.= pdf Further information is available at: http://echeminfo.colayer.net/COMTY_training Barry Hardy, PhD Douglas Connect, Switzerland +41 61 851 0170 (office) www.douglasconnect.com --=====================_2466311==_.ALT Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable We are holding the following Open Event at Oxford University on discussing Electronic Lab Notebooks in supporting R&D on July 6.  For those of you able to make this free event, please simply send an RSVP to innovationwell : douglasconnect.com. 

We are also holding workshops the same week in Oxford on a) Drug Discovery Informatics and b) Innovation & Knowledge Management in R&D and Product Development which may be of interest to you and are described at the end of this email.  Attractive discounts are available for participants from small and medium-sized companies or academic organisations.

best regards
Barry Hardy
Community of Practice Manager
Douglas Connect, Switzerland
+41 61 851 0170




InnovationWell Open Seminar & Reception

The Electronic Laboratory Notebook  - Systems for Managing Research Knowledge,
Supporting Collaboration and Driving Innovation

Wolfson Seminar Room
Chemistry Research Laboratory
Mansfield Road, Oxford University

Thursday July 6, 4.30pm-8pm

Join us to discuss the emerging roles of Electronic Laboratory Notebooks in managing
multidisciplinary research activities, innovation and collaboration=20

This is an Open Seminar and involves no registration fee. However seated places are limited and will be restricted to a confirmed guest list. Please send an RSVP with your name and organisation via email to innovationwell : douglasconnect.com

Agenda

4.30pm Welcome coffee

5.00pm Electronic Laboratory Notebooks and the Management of Modern Scientific Research and Development  - an Industry Perspective
John Trigg, Managing Director, phaseFour Informatics, UK

John Trigg has over 20 years=92 experience of working in the field of R&D data, information and knowledge management including 10 years experience of the world=92s first enterprise level implementation of an Electronic Lab Notebook at Kodak. He will provide an overview of the critical emerging role of ELNs in modern industry research.

5.30pm Electronic Laboratory Notebooks as Engines of Knowledge for Research and Development  - a Knowledge Management Perspective
Dr. Barry Hardy, Founder of the InnovationWell and eCheminfo Communities of Practice
and Director, Knowledge Management Institute, Switzerland

Barry Hardy will provide an overview of the critical knowledge management strategies and methodologies for enabling productivity and successful outcomes in collaborative-based R&D. He will discuss knowledge assessment approaches aimed at the continuous improvement of the innovation and performance of the R&D organisation and its support ELN systems.

6.00pm ELN Framework Requirements to Support Collaborative Multidisciplinary R&D =96 A Solutions Perspective
Dr. Jeff Spitzner, President & Chief Science Officer, Rescentris; Ohio, USA

Jeff Spitzner is a leading expert in bioinformatics, knowledge management, and electronic laboratory notebook systems. In 1997 he co-authored the BSML data standard for bioinformatics, the pioneering XML technology in the life sciences; today he provides the vision and guides the development of Rescentris=92 products. He will discuss the design and implementation of collaboration frameworks for the management of scientific research, and the role of semantic web technologies in record-keeping solutions that support the integrated R&D organization.

6.30pm Panel Discussion with Audience

The speakers and audience will discuss Electronic Laboratory Notebooks and their role in managing and supporting R&D in today=92s complex multidisciplinary scientific environment.

7.00pm Reception

Drinks, Snacks, Software Demos =85 and more discussions!  Followed by dinner out for those interested.


This event takes place alongside the following workshop activities running in Oxford that week:

Innovation & Knowledge Management in Research & Product Development
a 3 day Interactive Management Workshop, 5-7 July 2006
Chemistry Research Laboratory, Oxford University, Oxford, UK
led by leading industry experts and practitioners including Victor Newman, Paul Lefrere,
David Gurteen, David Snowden, Jeff Spitzner, John Trigg, Iain Bitran and Barry Hardy

Program Brochure:
http://barryhardy.blogs.com/theferryman/files/innovation= wellrd_oxford_web1.PDF

These workshops are aimed to bring leading best practice and issue discussion to industry researchers and managers striving to use the latest innovation and knowledge management techniques and tools to maximise productivity and return in investment from R&D activities. Workshop groups will work through and discuss complex issues highlighted by detailed case studies presented by instructors.  The following topics will be discussed:

Strategic Knowledge Management in R&D
Intellectual Property, Licensing & Valuation
Effective Deployment Strategies for Electronic Laboratory Notebooks
Knowledge Assessment & Auditing
Ontologies & Knowledge Discovery
Integrating Innovation Management & Research Activities
Communication & Collaboration between Research Teams & Partners
Organisational Development & Culture in R&D
Decision Support for Research Project & Portfolio Management
Integration of Tools & Data in R&D
Complex Systems Approaches to Product Development

More Information at:
= http://innovationwell.net/COMTY_rpdtraining/ & http://barryhardy.blogs.com/


Latest Advances in Drug Discovery Design & Planning Methods
a Hands-on 5 Day eCheminfo Advanced Training Workshop Week
3-7 July 2006, Oxford University, Oxford, UK

These workshops are aimed to provide a set of stimulating workshops using= latest advanced modelling techniques of relevance to chemists, life= scientists and modellers working in drug discovery. Participants should= return to their labs with new ideas, best practices and software= experiences to maximise productivity in their own drug discovery research= activities.

You can download a copy of the program brochure from:
http://barryhardy.blogs.com/cheminfostream/files/eChemPr= ogramOxford06-v7web.pdf

Further information is available at:
http://echeminfo.colayer.net/COMTY_training




Barry Hardy, PhD
Douglas Connect, Switzerland
+41 61 851 0170 (office)
www.douglasconnect.com

--=====================_2466311==_.ALT-- From owner-chemistry@ccl.net Tue Jun 6 13:14:02 2006 From: "Jozsef Csontos jozsefcsontos^_^creighton.edu" To: CCL Subject: CCL: X-window Software with OpenGL Message-Id: <-31906-060606121353-8558-Kr20jGp+aWmT3wIi3h8WRQ++server.ccl.net> X-Original-From: Jozsef Csontos Content-Transfer-Encoding: 7bit Content-Type: text/plain Date: Tue, 06 Jun 2006 11:13:43 -0500 Mime-Version: 1.0 Sent to CCL by: Jozsef Csontos [jozsefcsontos:+:creighton.edu] Hi, I'm not sure what you are looking for, but you might be interested in the two projects below: http://www.novell.com/linux/xglrelease/ http://fedoraproject.org/wiki/RenderingProject/AiglxOnFedora Have fun, Jozsef On Mon, 2006-06-05 at 18:06 -0400, Young Leh youngleh!^!gmail.com wrote: > Sent to CCL by: "Young Leh" [youngleh!^!gmail.com] > Dear CCLer, > > Could somebody please recommend any FREE X-win software that supports OpenGL? > > Thanks and have a nice day. > > Regards, > > Young Leh> > > -- Jozsef Csontos, Ph.D. Department of Biomedical Sciences Creighton University, Omaha, NE From owner-chemistry@ccl.net Tue Jun 6 13:49:00 2006 From: "Barry Hardy barry.hardy[-]tiscalinet.ch" To: CCL Subject: CCL: Resend: Electronic Lab Notebooks supporting R&D - Join us for an Open Message-Id: <-31907-060606133300-12473-jrc0JFWPYAZmSvtDwOOhCA++server.ccl.net> X-Original-From: "Barry Hardy" Date: Tue, 6 Jun 2006 13:32:56 -0400 Sent to CCL by: "Barry Hardy" [barry.hardy[]tiscalinet.ch] (Sorry - last post on this was jumbled. Jan, CCL members - can someone please advise why such a posted was jumbled and how to avoid? Thx, Barry) We are holding the following Open Event at Oxford University on discussing Electronic Lab Notebooks in supporting R&D on July 6. For those of you able to make this free event, please simply send an RSVP to innovationwell|*|douglasconnect.com. We are also holding workshops the same week in Oxford on a) Drug Discovery Informatics and b) Innovation & Knowledge Management in R&D and Product Development which may be of interest to you and are described at the end of this email. Attractive discounts are available for participants from small and medium-sized companies or academic organisations. best regards Barry Hardy Community of Practice Manager Douglas Connect, Switzerland +41 61 851 0170 InnovationWell Open Seminar & Reception The Electronic Laboratory Notebook - Systems for Managing Research Knowledge, Supporting Collaboration and Driving Innovation Wolfson Seminar Room Chemistry Research Laboratory Mansfield Road, Oxford University Thursday July 6, 4.30pm-8pm Join us to discuss the emerging roles of Electronic Laboratory Notebooks in managing multidisciplinary research activities, innovation and collaboration This is an Open Seminar and involves no registration fee. However seated places are limited and will be restricted to a confirmed guest list. Please send an RSVP with your name and organisation via email to innovationwell|*|douglasconnect.com Agenda 4.30pm Welcome coffee 5.00pm Electronic Laboratory Notebooks and the Management of Modern Scientific Research and Development - an Industry Perspective John Trigg, Managing Director, phaseFour Informatics, UK John Trigg has over 20 years experience of working in the field of R&D data, information and knowledge management including 10 years experience of the worlds first enterprise level implementation of an Electronic Lab Notebook at Kodak. He will provide an overview of the critical emerging role of ELNs in modern industry research. 5.30pm Electronic Laboratory Notebooks as Engines of Knowledge for Research and Development - a Knowledge Management Perspective Dr. Barry Hardy, Founder of the InnovationWell and eCheminfo Communities of Practice and Director, Knowledge Management Institute, Switzerland Barry Hardy will provide an overview of the critical knowledge management strategies and methodologies for enabling productivity and successful outcomes in collaborative-based R&D. He will discuss knowledge assessment approaches aimed at the continuous improvement of the innovation and performance of the R&D organisation and its support ELN systems. 6.00pm ELN Framework Requirements to Support Collaborative Multidisciplinary R&D A Solutions Perspective Dr. Jeff Spitzner, President & Chief Science Officer, Rescentris; Ohio, USA Jeff Spitzner is a leading expert in bioinformatics, knowledge management, and electronic laboratory notebook systems. In 1997 he co-authored the BSML data standard for bioinformatics, the pioneering XML technology in the life sciences; today he provides the vision and guides the development of Rescentris products. He will discuss the design and implementation of collaboration frameworks for the management of scientific research, and the role of semantic web technologies in record-keeping solutions that support the integrated R&D organization. 6.30pm Panel Discussion with Audience The speakers and audience will discuss Electronic Laboratory Notebooks and their role in managing and supporting R&D in todays complex multidisciplinary scientific environment. 7.00pm Reception Drinks, Snacks, Software Demos and more discussions! Followed by dinner out for those interested. This event takes place alongside the following workshop activities running in Oxford that week: Innovation & Knowledge Management in Research & Product Development a 3 day Interactive Management Workshop, 5-7 July 2006 Chemistry Research Laboratory, Oxford University, Oxford, UK led by leading industry experts and practitioners including Victor Newman, Paul Lefrere, David Gurteen, David Snowden, Jeff Spitzner, John Trigg, Iain Bitran and Barry Hardy Program Brochure: http://barryhardy.blogs.com/theferryman/files/innovationwellrd_oxford_web1.PDF These workshops are aimed to bring leading best practice and issue discussion to industry researchers and managers striving to use the latest innovation and knowledge management techniques and tools to maximise productivity and return in investment from R&D activities. Workshop groups will work through and discuss complex issues highlighted by detailed case studies presented by instructors. The following topics will be discussed: Strategic Knowledge Management in R&D Intellectual Property, Licensing & Valuation Effective Deployment Strategies for Electronic Laboratory Notebooks Knowledge Assessment & Auditing Ontologies & Knowledge Discovery Integrating Innovation Management & Research Activities Communication & Collaboration between Research Teams & Partners Organisational Development & Culture in R&D Decision Support for Research Project & Portfolio Management Integration of Tools & Data in R&D Complex Systems Approaches to Product Development More Information at: http://innovationwell.net/COMTY_rpdtraining/ & http://barryhardy.blogs.com/ Latest Advances in Drug Discovery Design & Planning Methods a Hands-on 5 Day eCheminfo Advanced Training Workshop Week 3-7 July 2006, Oxford University, Oxford, UK These workshops are aimed to provide a set of stimulating workshops using latest advanced modelling techniques of relevance to chemists, life scientists and modellers working in drug discovery. Participants should return to their labs with new ideas, best practices and software experiences to maximise productivity in their own drug discovery research activities. You can download a copy of the program brochure from: http://barryhardy.blogs.com/cheminfostream/files/eChemProgramOxford06-v7web.pdf Further information is available at: http://echeminfo.colayer.net/COMTY_training Barry Hardy, PhD Douglas Connect, Switzerland +41 61 851 0170 (office) www.douglasconnect.com From owner-chemistry@ccl.net Tue Jun 6 14:24:00 2006 From: "Jan Labanowski janl- -speakeasy.net" To: CCL Subject: CCL: Jumbled message on CCL Message-Id: <-31908-060606142021-18156-ZBNo5/PuRXyy5Hfd3L33lw*o*server.ccl.net> X-Original-From: "Jan Labanowski" Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="iso-8859-1" Date: Tue, 06 Jun 2006 18:20:16 +0000 MIME-Version: 1.0 Sent to CCL by: "Jan Labanowski" [janl .. speakeasy.net] Barry, The Web interface for sending CCL mail can only accept the PLAIN ASCII TEXT messages (no HTML, no encoding, no diacritical marks). The mail headers produced by Web interface assume that it is a one-part, plain text message written in plain ascii characters with no encoding. Of course, I could make a fancy form and ask you 20 questions about your message on the form, but then, many of you would not know what I am asking for, or would be royally "nervous off" that I am bothering you with tons of scrap before I let you send the damned message. If you want to sent HTML mail or use special encodings, you need to send a regular mail to chemistry{:}ccl.net If it is rejected (I am forced to be VERY strict in sorting the mail due to the avalanche of spam/virus that reaches CCL -- several thousands of junk messages are sent to chemistry{:}ccl.net every day). Make sure that you look for the confirmation message. It is always sent to you, asking IF IT WAS YOU who sent the message to CCL Subscribers. If you do not see it, you either: 1) Did not send it to chemistry{:}ccl.net 2) Did not click on CCL Subscribers on the web form 3) Your message contained attachment that is forbidden (most are, do not use attachments) 4) Your message was too long. 5) The confirmation message ENDED IN YOUR SPAM BOX (it happens, since the confirmation message contains HTML link and the presence of links and html is highly ranked in scoring the message as spam by popular spam filter programs). You should whitelist ccl.net IP address: 66.93.212.15 to prevent false positives in CCL mail. If your message is rejected by the chemistry{:}ccl.net address please contact me via Web Form [choose Administrator as receipient], and include the error message. I am automatically blacklisting all IP addresses from which I am getting spam or virus. If your bounce error message reports a code: 5.7.1 you are most likely blacklisted on my server. Check the file: http://ccl.net/spammers.txt and use the FIND function of your browser to check if your machine is not by any chance blacklisted. Do not blame me or yourself. You (as a CCL Community) sent thousands of spam/virus messages from your infected computers without even knowing. And obviously, I cannot sort through this dung, since I do not have the resources to do it. Sorry... Life gets more complicated every day, and we are no immune to it... Jan Your Moderator Support CCL -- post good messages, advertise/look for jobs, buy DVD, make your company adopt a page, be a supporter, upload material, etc... http://server.ccl.net/chemistry/aboutccl/supporting/ From owner-chemistry@ccl.net Tue Jun 6 14:59:05 2006 From: "Eduard Matito ematito%a%gmail.com" To: CCL Subject: CCL: Software for Electron Sharing Indexes and Aromaticity Calculations Message-Id: <-31909-060606142339-18687-Gzu8soePLJnvShIiu/AS6g.:.server.ccl.net> X-Original-From: Eduard Matito Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=us-ascii; format=flowed Date: Tue, 06 Jun 2006 20:23:35 +0200 MIME-Version: 1.0 Sent to CCL by: Eduard Matito [ematito%x%gmail.com] Dear Users, For those interested we have made available a fortran90 code for the calculation of electron sharing indexes and electronic aromaticity indexes FLU and PDI. Further details are given in the manual. You can download files from: Program: http://iqc.udg.es/~eduard/ESI.tar.gz Manual: http://iqc.udg.es/~eduard/ESI-3D.pdf Eduard Matito Institute of Computational Chemsitry University of Girona Girona, Catalonia (Spain)