How can I set ref2015 and ligand.wts(-restore_pre_talaris_2013_behavior )

[Anonymous]

Hello, I want to design my protein wit XML script as the paper  Rosetta and the Design of Ligand Binding Sites

 

I want to dock with ligand.wts(-restore_pre_talaris_2013_behavior ) 

and design protein with ref2015.wts.

But the option -restore_pre_talaris_2013_behavior seem to have impact in ref2015.wts.

How can I solve it?

[Anonymous]

The pre-talaris13 parameter set and the REF15 parameter set (like vdW radii) are incompatible.  You can’t use both within one run of Rosetta.

The only option is to separate your docking step and your design step into different runs of Rosetta.

[Anonymous]

OK，Thanks very much~

[Anonymous]

Hi asbelx and smlewis,

I am trying to duplicate the work done as in the paper Rosetta and the Design of Ligand Binding Sites . I am having some difficulty interpreting my results. I get some very strange pdbs after the run has concluded, like the one included here. Do you know what may be occuring in my runs? Please let me know if you need more information.

 

Thanks,

Curtis

[Author]

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