[modeller_usage] loop refinement

Dear Modeller users,

I am looking for a simple MODELLER top-script that allows to remodel an already existing loop of a protein while leaving the rest of the molecule unchanged, that is, the input would be a single PDB file and a residue range.

The idea is to generate a number of different conformations of that loop and to evaluate them against X-ray crystallographic data (I am trying to model a loop that is only barely visible in a low resolution dataset).

Thank you very much in advance,

Kind regards,

Karsten Suhre, IGS-CNRS, Marseille, France.