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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. These templates can be used in all applications that generate ring conformations (ConfGen, Glide, LigPrep, and Phase). To make the templates available for your own use, place the resultant zip file in your user resources area. The location to use is:

Linux/Mac: $HOME/.schrodinger/mmshare/mmconf_ring_templates
Windows: %APPDATA%\Schrodinger\mmshare\mmconf_ring_templates

If you want them to be available to all users, you can place them in the mmshare-vversion/data/mmconf_rc_database directory of the installation.

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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