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Rosetta Proteins with SCons (and jam and cream)

Rosetta is a library based object-oriented software suite which provides a robust system for predicting and designing protein structures, protein folding mechanisms, and protein-protein interactions.

You'll need a license

Download, extract, load scons, and compile.


cd /usr/local/src/ROSETTA
tar xvf rosetta_src_2015.19.57819_bundle.tgz
cd rosetta_src_2015.19.57819_bundle/main/src
module load scons
scons

It will take a long time. A really long time.


cd /usr/local/Modules/modulefiles/rosetta
ln -s .base 2015.19.57819

The .base file looks like the following:


#%Module1.0#####################################################################
##
## $name modulefile
##
set ver [lrange [split [ module-info name ] / ] 1 1 ]
set name [lrange [split [ module-info name ] / ] 0 0 ]
set loading [module-info mode load]
set desc [join [read [ open "/usr/local/Modules/modulefiles/$name/.desc" ] ] ]
proc ModulesHelp { } {
puts stderr "\tThis module sets the envinronment for $name v$ver"
}
module-whatis "$desc (v$ver)"
prepend-path PATH /usr/local/$name/$ver/database
prepend-path PATH /usr/local/$name/$ver/bin
prepend-path PATH /usr/local/$name/$ver/tests