[IMP-dev] automatic force field restraint setup

[Dave Barkan <dbarkan@salilab.org>]

Hi all,

I was wondering if there is a quick way to set up force field restraints 
on a hierarchy of atoms generated by read_pdb()? Right now I have to 
explicitly set up three or four types of restraints myself (following 
the protocol in the charm_forcefield.py example in the atom module). 
This is likely to be re-implemented often and it would be nice if IMP 
provided an easy way to do this.
Maybe less useful to others, but potentially to me, would be if you 
could specify a region of the protein to which to add the forcefield 
restraints (instead of the whole PDB you just read in).
thanks,
db