Computer-Aided Drug Design at the Durrant Lab › Forums › AutoGrow4 › Autogrow mutation Error – unable to open database file
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Hello, I am currently trying to run the autogrow tutorial provided, but similarly to the user in the linked thread;
I am getting the same error where no mutated ligands are being produced, even after removing all filters for the produced molecules. Reading through the output, an error stating "Error unable to open database file when generating mutants for <ligand> skipping" occurs for many of the compounds, whilst the rest of the ligands print "<ligand> gave no viable mutants".
I have installed the software as per the instructions and running Autogrow in a docker. Any suggestions would be great. Thank you for providing the community with this software!