Feature requests

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      Lee Herman
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      Jacob

      At the SAGIM online event I suggested that Webina automatically takes the ligand from a co-crystal and guesses at the docking box. I’d like to expand on that idea.

      Given a co-crystal, why not have Webina:
      1. Put the ligand into the Correct Pose.
      2. Put a randomized version of the ligand into the Ligand.
      3. Use the ligand to guess the Docking Box.

      This way, one can do a very quick validation of the method, with little effort.

      Lee

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