Design with limited number of aminoacids at given position

[Anonymous]

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

[Anonymous]

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

[Anonymous]

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

[Anonymous]

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

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