Sunday, March 01, 2009

MeTA Studio update: MM/UFF, map-reduce and bug fixes

An online update for MeTA Studio is available (v. 2.0.02032009).
If you have not followed the instructions in the previous updates as put in (http://tovganesh.blogspot.com/2009/02/meta-studio-update-map-reduce-editor.html), kindly go through that before applying the current update.

There are some interesting things happening behind the scene with MeTA Studio development:
- Josh Milthorpe, a Ph.D. student at ANU, is actively contributing code and bug fixes to MeTA Studio. So hope to have some quite interesting contributions from him in near future :)

- Current version includes a very basic implementation of MM/UFF by Josh in MeTA Studio, but is not fully integrated yet. First plan is to get it working with the MoleculeEditor. To test out you can use some thing like the following from bsh prompt:

mmEnergy(readMultiMoleculeFile("/home/ganesh/tmp/ch4.xyz").get(0));

Note the APIs here are at a very primary stage, and may change as we progress.

- There is a major upgradation of map-reduce implementation. Now this supports handling of node failures as well as has multi-core support. Next plan is to get some useful application on this platform. All ideas in this respect are welcome!

- This version also includes stable release Apache math-commons lib (http://commons.apache.org/math/), which supplements and enhances math APIs that are already a part of MeTA Studio.

- As usual, the update includes many bug fixes. You may also spot some organisational changes in graphics rendering APIs, which is being slowly re-factored. If you have not written any script that explicitly depends on these very raw APIs (and I presume this is highly unlikely) nothing would break.

As always, if you have any issues / suggestions feel free to post them at: http://code.google.com/p/metastudio/issues/list

Have fun!

( Update: Found out some last minute bugs with the way the node failures are addressed in map-reduce implementation in MeTA Studio and is subsequently patched today with version (2.03032009) ..

This version also adds some enhancements to MM/UFF by Josh.

The number 03032009 seems to be interesting though ;)
- two 3 s
- one 2
- 3 x 3 = 9
- 3^2 = 9
...
)

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