Are there tools or scripts out there that can convert Modeller
restraints (eg. rsr files) to Gromacs distance restraints? If not, how
would you go at it?
The format is pretty simple, so it certainly wouldn't be that hard to
do. The format is described at
Note, however, that not all static restraints are distance restraints,
and not all forms are the same (e.g. most are harmonic, but some are
cubic splines). And some restraints such as DOPE are dynamic and not
stored in the .rsr file.
The Integrative Modeling Platform, IMP, has an IMP.modeller module that
converts all Modeller restraints to their IMP equivalents, so you could
also use that Python code to help you. (Since it handles almost all
restraint types, and also handles internal coordinates and dynamic
restraints, it's a bit more involved.) See the
load_static_restraints_file() method in the ModelLoader class at