Hi!
What is the easiest way to allow only a single residue type (e.g. Trp) at a given position during the design?
I use FastDesign Mover with symmetry. I thought about ReadResfile and PIKAA command, but perhaps it could be done directly from the Rosetta Script? Via task_operations=... ?
Best wishes,
Staszek
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Post Situation:
Resfiles strike me as the easiest. There is a task operation to take a resfile, if that's what you wanted. https://www.rosettacommons.org/docs/latest/scripting_documentation/RosettaScripts/TaskOperations/taskoperations_pages/ReadResfileOperation
If you want to do it in RosettaScripts directly, define RestrictAbsentCanonicalAASRLT operations (https://www.rosettacommons.org/docs/latest/scripting_documentation/RosettaScripts/TaskOperations/taskoperations_pages/Residue-Level-TaskOperations) for each residue, inside of OperateOnResidueSubsetOperation of https://www.rosettacommons.org/docs/latest/scripting_documentation/RosettaScripts/TaskOperations/taskoperations_pages/OperateOnResidueSubsetOperation
If you want to do the whole sequence, ThreadSequence may be more efficient. https://www.rosettacommons.org/docs/latest/scripting_documentation/RosettaScripts/TaskOperations/taskoperations_pages/ThreadSequenceOperation