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Article ID: 958 - Last Modified:

Can I create additional ring conformation templates for use in Schrödinger software?

Yes. You can create templates for rings that do not have templates in the standard installation by using the MacroModel ring_templating utility. When you place the resultant files in your user resources area, they are used by all applications that generate ring conformations: ConfGen, Glide, LigPrep, and Phase.

To identify missing ring templates, you can run $SCHRODINGER/utilities/ring_conf on a set of molecules. This utility produces a file that ends in -out_tmpl_att_prob.mae that contains copies of the molecules that lacked ring templates. You can then use this file as input to $SCHRODINGER/utilities/ring_templating to generate new templates for these rings.

See the section on this utility in the Additional Features chapter of the MacroModel User Manual for details.

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