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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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Ignoring interactions that occur below a certain threshold of the simulation frame in barcode plots #204

Closed elizagg closed 1 month ago

elizagg commented 1 month ago

Hello. Currently, the barcode plots that I am making contain interactions that only occur in one frame of the simulation, which causes the y-axis to be congested. However, I was wondering if there is a way to apply a threshold to either the interaction fingerprint or the barcode plot to make it so that only interactions that occur above a certain percent of simulation frames are plotted. Thank you!

exs-cbouy commented 1 month ago

Hi,

See issue #184 for an example code snippet on how to do that

Feel free to reopen this issue if you have any related question.