Dear Consortium Members and Affiliates,
Summer is almost here, there's a giant tent on the HMS Quad, and the halls will soon be much, much quieter. The software developers march on though, and we have a large group of updates this month. Updated packages include CCP4, ARP/wARP, Coot, AutoDock, MGLTools, CCP4mg, Aria and a new package: AutoDock Vina.
Now hear this! Red Hat 4 and CentOS 4 support will be discontinued once Red Hat 6 is officially released. This is in accordance with our official operating system support policy. Most of the software will continue to work without issue, but I won't be testing the software on those platforms and will not be making changes in response to bugs on those platforms.
The technical users mailing list hasn't seen any traffic while I'm working to dig out the backlog of software requests from the last month, but it's going to heat up soon. If you're a site admin or sysadmin at one of our sites, it would really be great if you would join. I have some crazy ideas about cool stuff we could do with the software distribution, and if you aren't around to convince me I've gone off the deep end, who knows what will happen?! Message-of-the-day functionality, a new rsync distribution system, changes in IMAGIC license handling and more! Send email to sbgrid-tech-subscribe@sbgrid.org.
We're hosting some visitors from the CCP4 development group in July. We hope to schedule a couple talks for people local to the Boston area and possibly try out a webcast or something similar for off-site researchers. We'll post more details as they become available.
p.s. Go Celtics!
We're pleased to welcome two new members this month: Wayne Marasco from Dana Farber Cancer Institute and Alfredo Torres-Larios at the Instituto de FisiologÃa Celular of the Universidad Nacional Autónoma de México.
The following software updates will be available tonight or tomorrow:
Linux and Mac OS X (PPC and Intel)
CCP4 has been updated to version 6.1.3. The CCP4 website has documentation, tutorials and more, including the sign up page for the inimitable CCP4bb mailing list, which everyone is already on. This update includes new versions of REFMAC and MOLREP, but PHASER development seems to have been incorporated into the PHENIX project. I did not install BALBES and its 1.6 GB database, so let me know if you want to use it.
ARP/wARP has been updated to version 7.1.1 and the CCP4 job setup interface has been installed. There is an ARP/wARP manual online.
Coot has been update to version 0.6.2-pre-1-r2969 or thereabouts. Coot is in feature freeze pending an official 0.6.2 release, so please report any bugs you find to me or to Paul Emsley so they can be fixed for the final release. The Coot website is now hosted at Oxford.
AutoDock has been updated to version 4.2.3. Documentation, FAQs, a wiki and a user forum are available on the AutoDock website.
AutoDock Vina version 1.1.1 is a new docking package from Scripps. Vina can be used for drug discovery, molecular docking and virtual screening, and it offers multi-core capability, high performance and enhanced accuracy and ease of use. More information is available on the Vina website.
MGLTools has been updated to version 1.5.4, and it fully supports the latest AutoDock and Vina. MGLTools includes the AutoDockTools, Python Molecular Viewer and Vision packages, and the website has documentation on the various programs.
Linux and Mac OS X Intel
CCP4mg, the CCP4 Molecular Graphics package, has been updated to version 2.4.0. The website has excellent documentation and tutorials to get you started preparing figures and creating animations.
ARIA has been updated to version 2.3.1 on linux and is a new package for OS X Intel. ARIA is a package for automated NOE assignment and NMR structure calculations, and this version has full support for CCPNMR Analysis project files. The ARIA website has links to documentation and discussions.
The following bugs have been fixed since the last newsletter:
No bug reports since the last update! Or at least none that required fixes in the software tree. Am I doing an awesome job or all you guys in the wet lab?
Summer is almost here, there's a giant tent on the HMS Quad, and the halls will soon be much, much quieter. The software developers march on though, and we have a large group of updates this month. Updated packages include CCP4, ARP/wARP, Coot, AutoDock, MGLTools, CCP4mg, Aria and a new package: AutoDock Vina.