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Making sense of PDB files generated by DiffDock-PP

Open PatWalters opened this issue 1 year ago • 3 comments

Thank you for providing an example showing how to run DiffDock-PP inference with PDB files. I was able to run the example you provided, but I'm confused by the output. The pdb files generated by the inference script don't look like protein structures. As an example, consider the reference receptor for the 1A2K example. If I look at only the alpha carbons for the 1A2K_r_b.pdb I see this, which looks like a normal protein structure.

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However the resulting protein and ligand pdb files look nothing like proteins. Is this a bug or am I missing something?

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PatWalters avatar May 09 '23 14:05 PatWalters