I have a strange problem regarding SymDock:
I did symmetry Rosetta previously using RosettaScrips 3.4. And it worked fine so far. Since I want to do docking on that symmetric molecule and - at least to my understanding - the Docking is not ported to Scripts for symmetry mode, I choose to use SymDock.
When I try to run it with exactly the same .pdb .sym and .params as in Scrips (which worked fine!) I get "
protocols.simple_moves_symmetry.SymDockingInitialPerturbation: initialize_rigid_body_dofs: true
ERROR: unrecognized atom_type_name COO
ERROR:: Exit from: src/core/chemical/AtomTypeSet.hh line: 103
"COO" is present in my ligands .params file, but should also be present in a lot of other residues ... so, I do not get the meaning of the error, since regarding the extra-res readin everything worked perfect in RosettaScripts.
I attached all relevant files and the full output.
Thanks a lot ... I suppose its stupid fault of mine ;-)