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What do Glide pose-rejection messages mean?

The most common pose-rejection messages that appear in the log file are:

  • NO POSES STORED-Nothing was written to the _raw.mae file for this ligand. This usually only happens when constraints are applied and none of the minimized poses satisfies the constraints.
  • NO POSES SURVIVED ROUGH-SCORE-There are several messages similar to this. For all of them, poses have been eliminated somewhere in the rough-score part of the hierarchy.
  • NO GOOD POSES FOUND-This message usually occurs in conjunction with some other message that gives a more specific reason why poses were not found. Usually it means that no poses survived the rough-scoring stage of the hierarchy.

For more information on the Glide docking hierarchy and rough scoring, see Chapter 2 of the Glide User Manual. Chapter 7 has a more complete list of dockling log messages.

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