Scoring

Hi all,

I've recently been asked to try to use RosettaScripts for some enzyme design. In this particular case I am trying to use the HBNet mover to predict hydrogen bond network mutations. I have created scripts with just the HBNet mover and also calling the Multiple Pose mover afterwards. However, I am having the same issue. I don't know how to score the resulting binary silent file.

I am trying to select the top 5 results and extract their PDBs.

Some common errors include:

Hello all, 

            Is it possible to run InterfaceAnalyzer with a structure with Glycans? Everytime I apply the InterfaceAnalyzerMover on my structure I get a segmentation fault. If I just delete the carbohydrates it works just fine. The pose has been processed with all of the usual flags(below). Is there some trick to using glycans and InterfaceAnalyzerMover or can someone point me in the right direction? Thanks so much.

                                                                                                        Drew

Hi All,

I am running some flexible backbone design on a transmembrane four-helix bundle heme protein via RosettaScripts. I'm finding that the membrane residue is moving a lot during design, and I have to optimize the embedding with mp_transform post-design to reposition the mem residue. I have a few questions about this:

Hello all.

I noticed that when I output a relax cycle to a PDB, the residue scores are in the bottom of the PDB.

When I output the results to a database (MySQL), the table structure_scores holds the energy scores of the whole PDB, but I can't find the per-residue values anywhere.