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X-PLOR is a program system for computational structural biology. X-PLOR's main focus is the three-dimensional structure determination of macromolecules using crystallographic diffraction or nuclear magnetic resonance (NMR) data. The program is based on an energy function approach: arbitrary combinations of empirical, geometric and effective energy terms describing experimental data may be used. The combined energy function can be minimized by a variety of gradient descent, simulated annealing, and conformational search procedures.


Upcoming modulesystem change alert!

Due to large number of applications and their versions it is not practical to keep them explicitly listed at our wiki pages. Therefore an upgrade of modulefiles is underway. A feature of this upgrade will be the existence of default module for every application. This default choice does not need version number and it will load some (usually latest) version.

You can test the new version now by adding a line

source /cvmfs/software.metacentrum.cz/modulefiles/5.1.0/loadmodules

to your script before loading a module. Then, you can list all versions of xplor-nih and load default version of xplor-nih as

module avail xplor-nih/ # list available modules
module load xplor-nih   # load (default) module

If you wish to keep up to the current system, it is still possible. Simply list all modules by

module avail xplor-nih

and choose explicit version you want to use.