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RemodelMover() and the blueprint file

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RemodelMover() and the blueprint file

Hello people,


I my attempt to get a working RosettaDesign protocol, I have come across the RemodelMover() class.


From the Rosetta C++ documentation, the RemodelMover should take a blueprint file in order to specify which residues to remodel. but the RemodelMover() class in PyRosetta has no method to input a blueprint file nor a resfile.


on its own the RemodelMover works without any errors, but would remodel the entire structure.


Anyone can explain to me how to use this mover in PyRosetta? or is it not nessesary to get good outputs from RosettaDesign? (I seem to be having a fragments problem)


Thank you.

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Wed, 2018-06-27 03:55

Unfortunately, the RemodelMover wasn't written with PyRosetta in mind. As such, it really doesn't currently have any code-level support for specifying the blueprint.

Your two options are to create the RemodelMover through the RosettaScripts XML interface (there's some support in recent PyRosettas for creating movers with RosettaScripts style XML tags), or to pass the filename to the `-remodel:blueprint` option when you initialize PyRosetta.


Thu, 2018-06-28 12:00