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Dear Rosetta users,

I'm trying to run Rosetta VIP on a heme protein. I started by relaxing the structure according to the protocol in the "relax_around_chemically_bound_ligand" demo. My chemically bound ligand would be the heme group, to a histidine. For this, I created *.params files for the heme group and the covalently bound histidine, and created a contraints file according to the protocol. The relaxation seemed to work fine (log.txt available), as Rosetta was able to make the connection between heme and his and apply the constraints.

I cannot find the table of residue-residue pair energies for residues which interact across the docking interface in any of the output of the server including the stats at the lower listing in the model pdb files.
Could someone tell me if I have missed this output or how to request this output from the server?

Hi,
I'm trying to use Remodel with a constraint file and it is exiting with an error regarding atom type. The error does not occur if I remove the enzdes:cstfile flag.

My flags look like this:
'/netapp/home/noah/rosetta/remodel_r51420', '-database /netapp/home/noah/rosetta/database_r51404', '-run:chain B', '-s 1AUT_PAR1_renum_ppk_0001.pdb', '-remodel:blueprint blueprint_1', '-ex1', '-ex2', '-use_input_sc', '-nstruct 1', '-enzdes:cstfile constraint_1'

constraint_1 looks like this:
CST::BEGIN
TEMPLATE:: ATOM_MAP: 1 atom_type: Nbb
TEMPLATE:: ATOM_MAP: 1 is_backbone

Hi
I have tried Fragment Picker in Rosetta 3, and get the following errors:

ERROR: query_prediction -> total_residue() == query_len
ERROR: Exit form: src/protocols/frag_picker/scores/SecondarySimilarity.cc line: 132

Could you please give me some advices on how to solve the problems? Thank you very much.