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