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Enzyme design output silent file and score file

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Enzyme design output silent file and score file

Hi Rosetta Users,

A quick question. can enzyme design output silent and score files if I chose to output multiple models? I tried to add the following flags but didn't have the silent and score files. Only individual pdb files were output.

-out:file:silent design.out

Thanks for help.

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Fri, 2012-09-28 13:07

The enzyme_design application is one of those applications which has not been transitioned to the "jd2" input/output/job distribution framework, so the controls for input/output can be limited and idiosyncratic. As I read the code, there isn't any facility to output enzyme design structures as a silent file with the enzyme_design applications.

Note that if you really wanted silent file output, you could put together an enzyme design protocol in RosettaScripts, probably relying heavily on the enzyme design movers ( ). rosetta_scripts is a jd2 application, so it is able to handle all the standard input and output flags. Some caveats, though. If you're using enzdes-style constraints, you need to use the -run:preserve_header flag to keep Rosetta from discarding the constraint-specifying REMARK lines. Also, if you're using silent files, you want to make sure you're using the "binary" formatted silent file (with the silent_struct_type flags), as the default "protein" silent file can't handle ligands well. I'm also not sure if using enzdes style constraints with silent files is even possible, as I don't know how good the REMARK-preserving behavior of silent files is.

Fri, 2012-09-28 18:29