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chemosim-lab / ProLIF

Interaction Fingerprints for protein-ligand complexes and more
https://prolif.readthedocs.io
Apache License 2.0
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Plotting interaction graphs from docking results #139

Closed Sumbul1631 closed 1 year ago

Sumbul1631 commented 1 year ago

can i plot a graph of my interaction fingerprints from docking results.. something like this:

Protein-ligand-interaction-fingerprint-PLIF-of-the-docking-poses-in-3G5U-Pgp

cbouy commented 1 year ago

Once you convert the ProLIF fingerprint object to a pandas DataFrame with df = fp.to_dataframe() you can transform the data and make this sort of plots for sure, but I don't have time to offer this kind of personalized support unfortunately. I'll convert this to a discussion since it's not really an issue with the library itself.