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RDF and MagicTools

These parts of the package are written in Python and do not require explicit compilation, you need only to link file rdf.py to your default bin folder and add MagicTools and MagicTools/lib folder to your PYTHONPATH environment variable.

To check if the library is added successfully, open terminal, run ipython and load the library:
import MagicTools
If no error message appeared, the RDF and MagicTools modules are correctly connected.

For reading binary CG trajectories produced by http://www.gromacs.orgGROMACS (.xtc and .trr) the RDF utility relies on http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Libraryxdrfile library, which need to be compiled. To compile it, enter MagicTools/xdrfile-1.1.1 folder and run
./configure --enable-shared
You can also specify exact location for the compiled library files by adding
-prefix=/path/to/library/folder
to the configure arguments. Build the library by make install. If you have specified non-default location for the library, add it to the LD_LIBRARY_PATH environment variable.

Finally, add python wrapper for the library in PYTHONPATH:
export PYTHONPATH=$MAGIC/MagicTools/xdrfile-1.1.1/src/python:$PYTHONPATH



Alexander Lyubartsev 2016-05-03