Get the source distribution and unpack the tar ball.
Install the python module and scripts:
python setup.py install --user
(--user might only work for Python 2.6; look at the output of
python setup.py install --help for guidance on what your options
are.)
Compile the customized (and improved) version of draw_membrane:
mkdir BUILD && cd BUILD cmake -D CMAKE_INSTALL_PREFIX=$HOME -D CMAKE_BUILD_TYPE=Release ../src/drawmembrane make make install
The make install step will install the executable
draw_membrane2a under CMAKE_INSTALL_PREFIX/bin; change
CMAKE_INSTALL_PREFIX if you prefer another location.
(cmake is not really needed; if you don't have it try the
following:
gcc ./src/drawmembrane/draw_membrane2a.c -o draw_membrane2a -lm -lz
and install manually in a place where you or your shell can find it.)
Finalize your installation by running
apbs-bornprofile-init.py
This should tell you that it set up a configuration file
~/.bornprofiler.cfg and a number of directories.
The default ~/.bornprofiler.cfg looks like this:
[DEFAULT] configdir = ~/.bornprofiler templatesdir = %(configdir)s/templates qscriptdir = %(configdir)s/qscripts [executables] apbs = apbs drawmembrane = draw_membrane2a
The file can be edited in a text editor. For instance, one can add the
full path to the apbs and draw_membrane2a executable binaries.
Any other variables used in run configuration input files can also be added here and will be used as defaults.
Advanced use: You can drop templates for run scripts into qscriptdir and have the BornProfiler package pick them up automagically.