RosettaCommons / PyRosetta.notebooks

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
https://rosettacommons.github.io/PyRosetta.notebooks/
MIT License
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how to set "-nstruct" ,if I want to output 5 fastrelax model? #80

Closed ak422 closed 2 years ago

ak422 commented 2 years ago

when I set the initial parameter as init("-use_input_sc -ex1 -ex2 -nstruct 1 -out:path:pdb ./tutorial_output -out:path:score ./expected_output") it output nothing, how can I get the pdb file result?

ajasja commented 2 years ago

I think you will get better results if you ask in the rosetta forums: https://www.rosettacommons.org/forum

In short since PyRosetta does not use the job distributor, the -nstruct flag might not have an effect. You can run the mover yourself N times and save the structure N times.

ak422 commented 2 years ago

Thanks!