Keren Lasker wrote: > Can one call modeller restraints from imp and use it in the optimization ?

It depends on the kind of Modeller restraint. If it is a static restraint (e.g. in the restraints file) the easiest solution is to convert that Modeller restraint to an equivalent IMP one (either by hand or by using IMP.modeller.load_restraints_file).

You could also use IMP.modeller.ModellerRestraints, which is a Restraint that adds all of the currently defined Modeller restraints to the IMP scoring function. The only caveat there though is that the current code that keeps the Modeller atoms matching the IMP particles does not preserve all atom information, so certain terms (e.g. nonbonded interactions) may not work correctly.

What kind of restraint did you want to use?

Ben