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Extracting the ligands from the file

Open fses91 opened this issue 2 years ago • 0 comments

Hi, how do you extract the ligands from the files. Because I want to use the (mlig) subsets. There are often multiple ligands per row, but if I open then in PYMOL, it looks like one ligand. I don't get to the numbers you report in the supplementary material of your paper. COACH420(Mlig) 300 Proteins, 378 Ligands HOLO4K(Mlig) 3448 Proteins, 6886 LIgands

Best regards, and thank you for providing the data. Florian

fses91 avatar Oct 13 '23 23:10 fses91