how to find Docking score from XRD incomplex with drug downloaded from PDB=7ump??

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Jobin Thomas

Hello

You have to redock the same to find the binding scope.

Regards

Jitesh Doshi

You can use autodock vina. Separate the ligand and protein from each other and prepare them for docking. While running the vina, use --score_only option which only scores the current crystal pose and does not try to predict new pose.