From owner-chemistry@ccl.net Sun May 22 00:24:00 2011 From: "Marc Baaden baaden::smplinux.de" To: CCL Subject: CCL: voronoi tessellation method for free volume in polymers Message-Id: <-44726-110521071046-3184-qnFGuHQYivgPpzzCA9hPVQ-,-server.ccl.net> X-Original-From: Marc Baaden Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=us-ascii Date: Sat, 21 May 2011 13:15:14 +0200 Mime-Version: 1.0 Sent to CCL by: Marc Baaden [baaden ~~ smplinux.de] Hi, I don't know about the specific implementation you refer to, but in the lab we have found the following generic library very usable: http://math.lbl.gov/voro++/ Regards, Marc Baaden NB: this is _not_ an advertisement. I am in no way affiliated with the people developing this library; I just found their software very useful owner-chemistry:_:ccl.net said: >> Sent to CCL by: "Steven Trohalaki" [steven.trohalaki*wpafb.af.mil] >> Years ago when Accelrys was Biosym/MSI, one could determine the free >> volume distribution in bulk polymer models using the Voronoi >> Tessellation method (developed by Suter, et al., at MIT and ETH) >> within Insight. This method is not available in Materials Studio >> (Accelrys), so I wonder if anyone still has it, and would be willing >> to make it available. Thanks. -- Dr. Marc Baaden - Institut de Biologie Physico-Chimique, Paris mailto:baaden:_:smplinux.de - http://www.baaden.ibpc.fr FAX: +33 15841 5026 - Tel: +33 15841 5176 ou +33 609 843217 From owner-chemistry@ccl.net Sun May 22 00:59:00 2011 From: "Roman Affentranger roman_+_douglasconnect.com" To: CCL Subject: CCL: OpenTox Online Seminar: Integrating OpenTox in Bioclipse (Wed, 25 May, 15:00 CEST) Message-Id: <-44727-110521120758-28923-aqOoOOFYs7EBAmOCiqFrgQ\a/server.ccl.net> X-Original-From: Roman Affentranger Content-Type: multipart/alternative; boundary=20cf3071d0225fc37904a3cb70be Date: Sat, 21 May 2011 18:07:45 +0200 MIME-Version: 1.0 Sent to CCL by: Roman Affentranger [roman*douglasconnect.com] --20cf3071d0225fc37904a3cb70be Content-Type: text/plain; charset=ISO-8859-1 Dear All: OpenTox recently initiated a series of online seminars and interactive tutorials on topics related to predictive toxicology using a virtual conferencing system supporting desktop sharing and voice. The tutorials are part of the EU FP7 project OpenTox (www.opentox.org), which aims at developing an interoperable open source predictive toxicology framework which may be used as an enabling platform for the creation of predictive toxicology applications. The next tutorial will be held*Wednesday, 20 April, at 15:00 CEST*, and will describe the approach for integrating OpenTox in Bioclipse, complemented with hands-on tutorials showing how to take advantage of OpenTox functionality from within Bioclipse via the user interface and scripts. The intended audience is people interested in learning how to use OpenTox > from within Bioclipse, and people interested in how the integration was technically implemented. A bleeding-edge release of Bioclipse will be made available for the participants before the tutorial. Participation in these online events involves no registration fee. To register for the seminar, visit http://www.surveymonkey.com/s/opentoxonline. If you have already registered for a previous OpenTox tutorial this spring you don't need to register again. Best regards, Roman Affentranger -- Dr. Roman Affentranger R&D Activity Coordinator Douglas Connect Baermeggenweg 14 4314 Zeiningen Switzerland --20cf3071d0225fc37904a3cb70be Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Dear All:

OpenTox recently initiated a series of online seminars and= interactive tutorials on topics related to predictive toxicology using a v= irtual conferencing system supporting desktop sharing and voice. The tutori= als are part of the EU FP7 project OpenTox (www.opentox.org), which aims at developing an in= teroperable open source predictive toxicology framework=A0which may be used= as an enabling=A0platform for the creation of predictive toxicology applic= ations.

The next tutorial will be heldWednesday, 20 April, at 15:00 CEST= , and will describe the approach for integrating OpenTox in Bioclipse, comp= lemented with hands-on tutorials showing how to take advantage of OpenTox f= unctionality from within Bioclipse via the user interface and scripts.
The intended audience is people interested in learning how to use OpenTox f= rom within Bioclipse, and people interested in how the integration was tech= nically implemented.=A0A bleeding-edge release of Bioclipse will be made av= ailable for the participants before the tutorial.

Participation in these online events involves no registration fee.
T= o register for the seminar, visithttp://www.surveymonkey.com/s/opentoxonline= .

If you have already registered for a previous OpenTox tutorial this spr= ing you don't need to register again.

Best regards,
Roman Affentranger

--
Dr. Roman Affentranger
R&D Activity CoordinatorDouglas Connect
Baermeggenweg 14
4314 Zeiningen
Switzerland
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