Closed mangalp closed 2 years ago
Hi, the repository has a file called "gninamap"
atom_map=molgrid.FileMappedGninaTyper('gninamap')
just ensure you're passing the path to the file in this function (I assume in this line of code that you have this file in the same directory that you are running the script from).
Hi, Thank you for making the code public. I am getting an error however in the data preprocessing stage. When I try to convert a .pdb file to gninatypes, I get the error
Could not open gninamap
. I simply separated the data preprocessing stage (using your code without any modifications) to create a self contained example to show my error.The code ends with the error
Can you please help me with this issue? Thank you.