AutoDock & MGLTools: Workshop on Computer Aided Drug Design
Dear all, two developers of the AutoDock suite and the MGLTools, Stefano Forli and Michel Sanner, come to Europe in September 16-20th for a one week workshop on computer aided drug discovery (CADD). This is not happening too frequently, and this particular event truly has its roots in the packages Debian Med prepared in 2008 and kept maintaining them for the past five years. To me this is a bit of a tangible proof that our Free Software community has long been about more than mere packaging. Well, those attending our annual Sprints long know about this: we also bring individuals (and their institutions) together, help with an exchange of ideas, contacts and resources. I visited their home institute last year, very inspiring, and I promise to do my best in directing as much as possible from this intensive one week into our distribution for those who cannot join us. How? This is why I have this long lasting interest in BOINC (boinc.berkeley.edu) and Taverna (taverna.org.uk). But better and more packages is what Debian Med sees first :) I attach the announcement below. It would be very nice to have the one or other additional individual from this list attending. Cheers, Steffen Dear all, We cordially invite you to the workshop "AutoDock and MGLTools: computer-aided drug discovery " September 16 - 20, 2013 at the University of Lübeck, Germany. We are happy to announce that Stefano Forli and Michel Sanner, both lead developers at the Molecular Graphics Lab at The Scripps Institute, La Jolla, California, offer a week of their time to present overviews and interna of AutoDock and the MGLtools for in silico drug screening and protein visualisation. They will introduce participants into their workflows comprising the whole process * from ligand preparation * via job control for high throughput docking * to result evaluation. The workshop offers lectures and exercises to support the participants in gaining experience and improving their skills in the above described tasks. Participants are encouraged to bring their own data for a fruitful exchange among themselves and the developers. For more details please visit http://www.gradschool.uni-luebeck.de/autodock Pleased forward this workshop announcement to potentially interested colleagues. Hoping to welcome many of you in September in Lübeck, with kind regards, Steffen Möller, Department of Dermatology, University of Lübeck Katja Dau, Graduate Scool for Computing in Medicine and Life Sciences, University of Lübeck -- To UNSUBSCRIBE, email to debian-med-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/trinity-bbf769be-2839-4212-94f3-d12a05272670-1371037536674@3capp-gmx-bs25
Re: [fis-gtm] ready for upload - needs sponsor
Hi Andreas, On 05/23/13 11:29, Bhaskar, K.S wrote: Andreas -- Amul is on vacation and will respond after his return, probably mid-week next week. Regards -- Bhaskar On 05/23/2013 05:18 AM (US Eastern Time), Andreas Tille wrote: Hi Amul, On Thu, Apr 11, 2013 at 11:44:39AM -0400, Amul Shah wrote: Hi Yaroslav, Thanks for checking in. We're in the run up to releasing V6.0-002 so I haven't done anything recently. Once the release is out, I have a few todos for final packaging. I checked via $ uscan --verbose --report ... Newest version on remote site is 6.0-001, local version is 6.0-001 that the new GTM version was not yet released. If we can do anything in advance to make sure that the new version will be upload quickly please let me know. [amul:4] I thought that I had responded to this earlier. Sorry for the late reply. [amul:4] We're still working on the man pages. They should be done soon. [amul:4] I need to follow up on parts of this thread from a while ago. 1. I might need a MoM. 2. I need to fix the multi-arch directory path to /usr/lib/x86_64-linux-gnu/fis-gtm/V 3. I need to add the virtual package name MUMPS for fis-gtm. Bhaskar had done this a while back, but I broke it. thanks, Amul _ The information contained in this message is proprietary and/or confidential. If you are not the intended recipient, please: (i) delete the message and all copies; (ii) do not disclose, distribute or use the message in any manner; and (iii) notify the sender immediately. In addition, please be aware that any message addressed to our domain is subject to archiving and review by persons other than the intended recipient. Thank you. -- To UNSUBSCRIBE, email to debian-med-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/51b8c526.1010...@fisglobal.com
Re: [fis-gtm] ready for upload - needs sponsor
Hi Amul, On Wed, Jun 12, 2013 at 02:59:50PM -0400, Amul Shah wrote: > [amul:4] I thought that I had responded to this earlier. Sorry for the late > reply. No problem. > [amul:4] We're still working on the man pages. They should be done soon. That's fine. However, if this should be the last stumbling stone it might be OK to go without these for a first package version. > [amul:4] I need to follow up on parts of this thread from a while ago. > > 1. I might need a MoM. Fine. I do not see any need to wait for start of July if you want to start immediately. > 2. I need to fix the multi-arch directory path to > /usr/lib/x86_64-linux-gnu/fis-gtm/V Is this a question what you need to do or just a statement about your plan you just need to do and perfectly know how to? > 3. I need to add the virtual package name MUMPS for fis-gtm. Bhaskar had done > this a while back, but I broke it. Well, that's not a big deal. Just tell me (us on the list) if you might have trouble with it. Thanks for your work on this. It just happens that I will have a talk at FISL[1] about the integration of VistA into Debian (as I did last year[2]). It would be really cool if we would be one step further at this time. Kind regards Andreas. [1] http://softwarelivre.org/fisl14 [2] http://people.debian.org/~tille/talks/20120711_vista-in-debian/index_en.html -- http://fam-tille.de -- To UNSUBSCRIBE, email to debian-med-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20130612200702.gc32...@an3as.eu
