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The problem hasn't been solved
I am using rosetta for abintio calculations for a while now. I am curious to know what are other parameter other than mentioned in the documentation, to play with to simulate protein size of 150 aminoacids. I am not really satisfied with the results obtained with typical parameters and wondering my laptop took only like one hour to complete the job ( but heard previously it is computationally intensive process)
Here is my flag file
Is it possible to use the relax app to relax an structure while restraining the C-alpha coordinates to their initial positions in order to stop things blowing up? There seems to be an option -constrain_relax_to_start_coords but it doesn't appear to have much effect when I tried using it.
thanks for your help!
Does Rosetta have a homology modeling protocol like SWISS-MODEL or MODELLER? I couldn't find it in source code.
I want to predict the structure of a sequence and then do a protein-protein docking, need I use MODELLER to create the structure from sequence and template pdb before repacking or loop modeling using Rosetta?
Are there any methods that can return the total number of atoms in the pose? I am trying to do a simple operation, like shift a peptide some distance along a certain vector, and find myself unable to loop over atoms in the simulation.
Is there a resource that lists all the methods accessible from the Rosetta python library?