DireX

Thursday AM Talk/Practical

DireX is a tool for real-space refinement of atomic models against (low-resolution) density maps.

You can download a copy from the SimTK website: http://www.simtk.org/home/direx

You should use the latest development version 0.5-devel (rev124). This is not a full release yet, there are still quite some things that need further testing, in particular some new recently added features. However, the basic functionality should work as in the previous (0.4) version. The DireX tutorials should run fine with this version. !! The previous version (direx-0.5-devel-030111) did not have the fftw libraries linked statically, this has been fixed in the latest update. !!

The presentation at the workshop will include application examples from the DireX tutorial. The description of the tutorial can be accessed through the following website: http://www.schroderlab.org/software/direx/tutorials.html

The tutorial consists of several parts starting from a very simple toy system to more advanced uses of specific DireX features.

The data necessary to run the tutorial can be found here: https://simtk.org/frs/download.php?file_id=2065