From owner-chemistry@ccl.net Tue Mar 23 08:58:01 2010 From: "Andrew Dalke dalke..dalkescientific.com" To: CCL Subject: CCL: cheminformatics programming training courses Message-Id: <-41507-100322234101-24998-txrTbIVHXYYrAZPo96IbRg++server.ccl.net> X-Original-From: Andrew Dalke Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=us-ascii Date: Tue, 23 Mar 2010 03:40:49 +0100 Mime-Version: 1.0 (Apple Message framework v1077) Sent to CCL by: Andrew Dalke [dalke/./dalkescientific.com] I have scheduled a training session for cheminformatics web development = in Leipzig, Germany on 18-20 May, I'm arranging a training course in = Boston at the end of July, and tentatively planning a course for the = Research Triangle Park area of North Carolina in early August. And as a = bonus, I'll be in the San Francisco Bay Area in mid-June and can arrange = a course there for those interested. Here is a summary of the upcoming courses. Full details are available at = http://dalkescientific.com/training/ . - The three-day Leipzig course in May is meant for computational = chemists who want to set up an in-house cheminformatics web service. The = course will cover the basics of Python and OEChem, Django, using a = relational database, structure display and input editing, and Javascript = with JQuery. - I will be in the San Francisco Bay Area in June and would like to = know if people there are interested either in a public training course = or one arranged at your site. - I am setting up a course for late July in the Boston area and am = finalizing the date and topic. This will be more focused on = cheminformatics scripting using Python and OEChem. I already have a = couple of people signed up for the course. Let me know if you would like = to attend, or if you want more information about it. I am also available = for on-site training in the Boston area around that time. - I have started to arrange a course in the Research Triangle Park = area of North Carolina in early August. While a couple of people at UNC = have expressed interest, it would be very helpful to know if there are = others in the area who would like to attend a training course and the = types of topics you are interested in. If you have any questions, do not hesitate to email me. Andrew Dalke dalke[]dalkescientific.com From owner-chemistry@ccl.net Tue Mar 23 23:54:01 2010 From: "Markus Dittrich nrbscloi++psc.edu" To: CCL Subject: CCL: Biomolecular simulation time on Anton at NRBSC Message-Id: <-41508-100323225104-17211-+GhX4eaWQ3iMthEwCRFPIQ++server.ccl.net> X-Original-From: "Markus Dittrich" Date: Tue, 23 Mar 2010 22:51:00 -0400 Sent to CCL by: "Markus Dittrich" [nrbscloi{=}psc.edu] Request for Letters of Intent to apply for biomolecular simulation time on Anton at the National Resource for Biomedical Supercomputing at the Pittsburgh Supercomputing Center Dear Colleagues, The purpose of this letter is to announce the opportunity for computer time on Anton, a special-purpose supercomputer for molecular dynamics (MD) simulation designed by D.E. Shaw Research (DESRES). A 512-node Anton machine will be made available without cost by DESRES for non-commercial research use by universities and other not-for-profit institutions commencing in late 2010. The machine will be hosted by the National Resource for Biomedical Supercomputing (NRBSC) at the Pittsburgh Supercomputing Center, with funding from the National Institute of General Medical Sciences under grant RC2GM093307. The NRBSC is requesting non-binding letters of intent (LOI) from investigators who may be interested in obtaining computer time on Anton to conduct explicit solvent, all-atom MD simulations on biomolecular systems. The LOI should be no longer than a single page, and should contain the following information: * Descriptive title of proposed research * Name, address, email, and telephone number of Principal Investigator(s) * Information about current funding * Brief description of research to be performed on Anton including the approximate system size in number of atoms The LOI should be submitted electronically at in pdf format no later than 12.00 midnight, Eastern time, Tuesday, April 6th, 2010. The NRBSC would like to emphasize that an LOI is not required, is not binding, does not enter into the review of a subsequent application, and is intended only to facilitate planning of the proposal submission and review process. A Request for Proposals (RFP) for computer time on Anton will be issued in the coming months. The review of proposals submitted in response to the forthcoming RFP will be conducted by a committee to be convened by the National Academies. Investigators who serve on the review committee assembled by the National Academies are also eligible to apply for computer time on Anton. For questions, please contact Christal Banks at .