Re: [phenixbb] selective nonbonded restraint removal

Hi Cathy,

The density suggests that when tris is not there, a side chain moves very close to that position

You could model this with alternative conformations. If you assign "altloc" A and B to two conformers of your protein, and just, say, B to your TAM, then the ligand would only "see" your B protein. If you don't define the B conformer (no atoms) then TAM wouldn't see that part of the protein at all. Actually, this approach seems better to me than working with atom selections. Ralf