24 March 2022 1 4K Report

I am using Autodock Smina - a fork of Vina to perform docking. I have docked the ligands to my receptor (including decoy). However I am having trouble combining them into a SDF that keeps the original file name against the affinity. Does anyone have any scripts to help do this?

I than need to get the output into a txt file (active 1...affinity x) etc.

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