Article ID: 255 - Last Modified: December 4, 2010
Is there a way to keep the vectors for acceptors/donors/aromatic rings when generating hypotheses using the free-style tool?
No. The directions of the vectors are derived from the geometry around the reference ligand atoms to which the features are mapped, and since using the free-style tool removes the reference ligand, the vectors will be lost.
Keywords: free-style hypothesis, vectors, Phase
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