Article ID: 331 - Last Modified: December 4, 2010
I notice that, during ligand preparation with LigPrep, some compounds are eliminated in the final optimization stage. Why is this?
It is perfectly normal for stuctures to be rejected in the optimization stage of LigPrep. This stage enforces chiralities, eliminates unrealistic combinations of chiralities, and eliminates output with unreasonable geometric characteristics.
Keywords: LigPrep, structures eliminated
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