From owner-chemistry@ccl.net Tue Jan 24 09:25:01 2012 From: "Alex Allardyce aa]^[chemaxon.hu" To: CCL Subject: CCL: Second call for papers - ChemAxon's EUGM, May 22-23, 2012, Budapest, Hungary Message-Id: <-46189-120124081641-12618-GxAs7yNsYw0YFX3BvRkP1g#server.ccl.net> X-Original-From: Alex Allardyce Content-Type: multipart/alternative; boundary="------------060606090105060705060103" Date: Tue, 24 Jan 2012 14:16:34 +0100 MIME-Version: 1.0 Sent to CCL by: Alex Allardyce [aa]=[chemaxon.hu] This is a multi-part message in MIME format. --------------060606090105060705060103 Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 8bit Regards from a unseasonably warm but none the less appreciated Budapest. We are calling for papers for ChemAxon's 2012 European User Group Meeting, to be held on Tuesday and Wednesday, May 22-23 at the Hotel Novotel Budapest Centrum, in downtown Budapest, Hungary. The meeting will feature presentations from ChemAxon users, lightning presentations/exhibition from ChemAxon Partners and the latest updates on product developments, as well as discussion shaping future product development. Oral abstract submission deadline is February 13th, 2012 and for poster abstracts, May 1st. To find out more visit the meeting page and to submit an abstract please register . To review the archives of previous meetings, including original presentations (slides and video) and meeting reports from Wendy Warr and Yvonne Martin visit the archive . We look forward to seeing you there. BR for 2012 Alex UGM Satellite meetings: (May 21st afternoon and May 24th) Markush Forum - Monday May 21st, afternoon Preceding the UGM we have the third European meeting of the Markush Forum, an afternoon for interested organizations to participate in the development of ChemAxon's tools for Markush structure enumeration and search. This meeting is open to users, content developers should contact us to confirm their participation. Find out more here: http://www.chemaxon.com/events/ugm-budapest-2012/#markush 1-2-1 Sessions - May 21st Following the Markush Forum we have a 1-2-1 session where our users can meet with ChemAxon staff to discuss scientific, technical or business issues. Each major product group will have a discussion area where ChemAxon experts will be on call. Developer and End user training - Thursday May 24th Following the UGM will be a 2 track developer and end user Training Day. For developers we have a tutorial/code session and for end users, for the first time, we have 2 tracks to allow focus on different products on hands-on training. The program is still under development. Find out more about the Application Focus (End user) Training here: http://www.chemaxon.com/events/ugm-budapest-2012/#appfocus Find out more about the Developer Training here: http://www.chemaxon.com/events/ugm-budapest-2012/#developer You are receiving this mail because you registered on our website. *Alex Allardyce* Marketing Dir. *ChemAxon**Ltd*. Záhony u. 7. Building HX, Budapest, 1031 Hungary http://www.chemaxon.com Tel: +361 453 0435 Fax: +361 4532659 mailto:aa%chemaxon.com --------------060606090105060705060103 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Regards from a unseasonably warm but none the less appreciated Budapest.

We are calling for papers for ChemAxon's 2012 European User Group Meeting, to be held on Tuesday and Wednesday, May 22-23 at the Hotel Novotel Budapest Centrum, in downtown Budapest, Hungary.

The meeting will feature presentations from ChemAxon users, lightning presentations/exhibition from ChemAxon Partners and the latest updates on product developments, as well as discussion shaping future product development.

Oral abstract submission deadline is February 13th, 2012 and for poster abstracts, May 1st. To find out more visit the meeting page and to submit an abstract please register.

To review the archives of previous meetings, including original presentations (slides and video) and meeting reports from Wendy Warr and Yvonne Martin visit the archive.

We look forward to seeing you there.

BR for 2012
Alex

UGM Satellite meetings: (May 21st afternoon and May 24th)

Markush Forum - Monday May 21st, afternoon
Preceding the UGM we have the third European meeting of the Markush Forum, an afternoon for interested organizations to participate in the development of ChemAxon's tools for Markush structure enumeration and search. This meeting is open to users, content developers should contact us to confirm their participation.  Find out more here: http://www.chemaxon.com/events/ugm-budapest-2012/#markush

1-2-1 Sessions - May 21st
Following the Markush Forum we have a 1-2-1 session where our users can meet with ChemAxon staff to discuss scientific, technical or business issues. Each major product group will have a discussion area where ChemAxon experts will be on call.

Developer and End user training - Thursday May 24th
Following the UGM will be a 2 track developer and end user Training Day. For developers we have a tutorial/code session and for end users, for the first time, we have 2 tracks to allow focus on different products on hands-on training. The program is still under development.

Find out more about the Application Focus (End user) Training here: http://www.chemaxon.com/events/ugm-budapest-2012/#appfocus

Find out more about the Developer Training here: http://www.chemaxon.com/events/ugm-budapest-2012/#developer
You are receiving this mail because you registered on our website.

Alex Allardyce
Marketing Dir.
ChemAxon Ltd.
Záhony u. 7. Building HX, Budapest, 1031 Hungary
http://www.chemaxon.com
Tel: +361 453 0435
Fax: +361 4532659
mailto:aa%chemaxon.com

--------------060606090105060705060103-- From owner-chemistry@ccl.net Tue Jan 24 13:31:00 2012 From: "Marcel Swart marcel.swart|*|icrea.cat" To: CCL Subject: CCL: Results for the DFT2011 popularity poll Message-Id: <-46190-120124132848-29389-G9De3jDuegmxgWKl6f1fqQ::server.ccl.net> X-Original-From: Marcel Swart Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=iso-8859-1 Date: Tue, 24 Jan 2012 19:28:39 +0100 Mime-Version: 1.0 (Apple Message framework v1084) Sent to CCL by: Marcel Swart [marcel.swart _ icrea.cat] We have just published the news-item with the results of the DFT2011 popularity poll. The most popular functional? Not B3LYP! For more info and the news-item: http://www.marcelswart.eu/dft-poll Marcel Swart Matthias Bickelhaupt Miquel Duran =================================== dr. Marcel Swart ICREA Research Professor at Institut de Química Computacional Universitat de Girona Facultat de Cičncies Campus Montilivi 17071 Girona Catalunya (Spain) tel +34-972-418861 fax +34-972-418356 e-mail marcel.swart!A!icrea.cat marcel.swart!A!udg.edu web http://www.marcelswart.eu =================================== From owner-chemistry@ccl.net Tue Jan 24 14:06:00 2012 From: "Chris Swain swain,mac.com" To: CCL Subject: CCL: Vortex Scripts Message-Id: <-46191-120124125206-18757-JU78qJ+Oc2NfKQXR8nUM1Q^server.ccl.net> X-Original-From: Chris Swain Content-transfer-encoding: 7BIT Content-type: text/plain; CHARSET=US-ASCII Date: Tue, 24 Jan 2012 17:51:55 +0000 MIME-version: 1.0 Sent to CCL by: Chris Swain [swain ~~ mac.com] Hi, I've just finished a 4th script for Vortex (a chemically intelligent data analysis application). Scripting Vortex Using OpenBabel Scripting Vortex 2 Using Sieve Scripting Votrex 3 Using cxcalc Scripting Vortex 4 Using MOE All scripts are free to download, more details here. http://www.macinchem.org/blog/files/4925bf26e010bba28d9ab8ef60c1593a-874.php They were written on a Mac but should work OK on any UNIX machine. Cheers Chris http://www.macinchem.org From owner-chemistry@ccl.net Tue Jan 24 23:35:00 2012 From: "Guenter Grethe ggrethe---att.net" To: CCL Subject: CCL: CINF-FIZ Scholarships for Scientific Excecllence-Call for Applications Message-Id: <-46192-120124200232-5859-mj8JHQVcTn/Wa/0d9T2G6A|*|server.ccl.net> X-Original-From: "Guenter Grethe" Date: Tue, 24 Jan 2012 20:02:30 -0500 Sent to CCL by: "Guenter Grethe" [ggrethe^att.net] 2012 CINF Scholarship for Scientific Excellence Sponsored by FIZ Chemie Berlin The scholarship program of the Division of Chemical Information (CINF) of the American Chemical Society (ACS) funded by FIZ Chemie Berlin is designed to reward graduate and postdoctoral students in chemical information and related sciences for scientific excellence and to foster their involvement in CINF. Up to three scholarships valued at $1,000 each will be presented at the 244th ACS National Meeting in Philadelphia, PA, August 19 August 23, 2012. Applicants must be enrolled at a certified college or university, and they will present a poster during the Welcoming Reception of the division on Sunday evening at the National Meeting. Additionally, they will have the option to also show their poster at the Sci-Mix session on Monday night. Abstracts for the poster must be submitted electronically through PACS, the abstract submission system of ACS. To apply, please inform the Chair of the selection committee, Guenter Grethe at ggrethe%%att.net that you are applying for a scholarship. Submit your abstract to http://abstracts.acs.org using your ACS ID. If you do not have an ACS ID, follow the registration instructions and submit your abstract in the CINF program for the session CINF Scholarship for Scientific Excellence. PACS will be open for abstract submissions from January 23 to March 31, 2012. Additionally, please send a 2,000-word abstract describing the work to be presented in electronic form to the Chair of the selection committee by June 30, 2012. Any questions related to applying for one of the scholarships should be directed to the same e-mail address. Winners will be chosen based on contents, presentation and relevance of the poster and they will be announced during the reception. The contents shall reflect upon the students work and describe research in the field of cheminformatics and related sciences. Winning posters will be marked Winner of FIZ Chemie-CINF Scholarship for Scientific Excellence at the poster session. Guenter Grethe