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Article ID: 743 - Last Modified:

How do I determine if a particular ring is included in the template library?

The easiest way to do this is to run $SCHRODINGER/utilities/ring_conf -R on a ligand structure that contains the ring. Along with a detailed report on the template matches, this command will place the ligand in the jobname-out_tmpl_att_prob.mae file if no ring template could be found for any of the ring systems present in the structure.

Keywords: Glide, MacroModel, LigPrep, Phase, conformation

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