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Ligand docking cannot open the protein file

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Ligand docking cannot open the protein file
#1

Hi there!

I follow the ligand docking tutorial from here: https://www.rosettacommons.org/demos/latest/tutorials/ligand_docking/ligand_docking_tutorial

When I get to point 6 and try to run docking protocol via ./rosetta_scripts.linuxgccrelease @options it says ERROR: Cannot open file "3PBL_ETQ.pdb"

How can I check the particular path to the file and correct, if needed?

Thanks in advance!

 

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Tue, 2017-10-17 08:17
swarekwood

It's a bit hidden due to formatting issues, but the 3PBL_ETQ.pdb file is made in step 4.2, where you `cat` the cleaned 3PBL_A.pdb file with the ETQ.pdb file made in the molfile_to_params step.  -- Were you able to get to this step, or was there a problem with an earlier step?

If you have the 3PBL_ETQ.pdb file, but it's not being found correctly, you can edit the `options` file, and give a full path to the file in the line with `-s`.

Tue, 2017-10-17 09:03
rmoretti