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LinaDongXMU / XLPFE

XLPFE: a Simple and Effective Machine Learning Scoring Function for Protein-ligand Scoring and Ranking
https://pubs.acs.org/doi/10.1021/acsomega.2c01723
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how to get pocket protein files #3

Closed mglgc closed 3 months ago

mglgc commented 3 months ago

Hi, First of all, thank you for freely making available to the scientific community the XLPFE code. I'd like to ask you about how the pocket protein pdb files for every proteins-ligand complexes contained into the data folder can be got. Thank you very much in advance for your reply.

LinaDongXMU commented 3 months ago

Pymol, X-Tool and other softwares related to molecular modeling are able to get pocket.

mglgc commented 3 months ago

Thanks a lot for your prompt reply.