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Article ID: 726 - Last Modified: April 15, 2014

Is there a maximum ring size for which Glide is able to generate conformations?

There isn't a fixed maximum. The maximum ring size depends on the templates in the library. If the ring is larger than 10 atoms, it is likely that there isn't a template for it. More ring templates are added to the library with each software release.

If you run $SCHRODINGER/utilities/ring_conf on a set of ligands, it will produce a file that ends in "-out_tmpl_att_prob.mae" that contains copies of the ligands that lacked ring templates. You can use this as input to $SCHRODINGER/utilities/ring_templating to generate new templates for these rings, and then copy them to your user resources area to make use of them in Glide. See the MacroModel User Manual for a description of the ring_templating utility.

Keywords: ring size, ring templates

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