Dear Consortium Members and Affiliates,
We just wanted to push a quick update before the Quo Vadis symposium. We will see many of you next week.
Piotr Sliz, Ph.D.
Structural Biology Grid (SBGrid)
NSF Research Coordination Network
Due to personal circumstances David Gohara will not be able to teach in the OS X workshop. In his place we have invited Alexander Griekspoor of Cambridge University. Alex is one of the founders of mekentosj.com. Together with Tom Groothius he developed several scientific applications including Papers, 4peaks and EnzymeX. His work has been awarded the prestigious Apple Design Award, and Papers was awarded Best Mac OS X Scientific Application for 2007. Alex will teach two OS X programming workshops during the SBGrid symposium next week. The workshop will include a combination of lectures and hands-on exercises.
Michael Schnieders, a postdoctoral fellow from the Vijay Pande laboratory at Stanford will present as part of the Roadmaps for structure determination workshop. Michael will talk about utilizing graphics processing units for accelerated refinement calculations.
The following software updates will be available later tonight:
Linux and Mac OS X (PPC and Intel)
Rasmol has been updated to version 126.96.36.199 for all 3 platforms. This version now includes support for OS X 10.5. Release notes and documentation are available on the Rasmol website.
AUTO3DEM and RobEM are a new install for all 3 platforms. AUTO3DEM is an automated image reconstruction system that coordinates the execution of the parallel, numerically-intensive codes P3DR, PCUT, POR, PPFT, and PSF. RobEM is a GUI driven program used both for image preprocessing (particle boxing, blemish removal, apodization, normalization, gradient correction) and visualization. More information is available on the AUTO3DEM website. Note that this package will only run on Fedora Core version 6 and newer to due code compatibility problems with the older versions of Fedora libraries.
Bsoft has been updated to version 1.5.4 for all platforms. This version includes 32 and 64 bit CPU support. The correct version is automatically chosen based on the hardware you're using. The change log and manual are available on the Bsoft website.
The PFT2DR package has been updated to run with the new Bsoft version for all 3 platforms. This is mostly a maintenance release to maintain compatibility with the updated Bsoft. The website contains the PFT3DR documentation.
CCPNMR is a new package for the Linux branch. The CcpNmr software suite is a series of programs for macromolecular NMR spectroscopy integrated with the CCP data model. Between programs written by the CCPN, external contributions and outside programs integrated with the data model, it is the intention to provide one suite of programs to carry out all tasks needed in macromolecular NMR spectroscopy. The nature of the data model guarantees that any other program or suite that interfaces with the data model can be used alongside or instead of the CcpNmr suite. We hope to have this package available for the Mac branches for the next update. Documentation and details on the CCPNMR software suite are available on their website.