Are there any ring conformation templates for macrocycles that I can use?

In Suite 2010, some new templates for about 70 macrocycles have been included in the distribution, for use in conformer generation by ConfGen, LigPrep, Glide, and Phase. These templates are available by default in Suite 2010 Update 1, but not in the original Suite 2010 release.

We recommend that you upgrade to Suite 2010 Update 1, but if you are still using Suite 2010, you can make use of these templates as follows:

1. In your user resources area ($HOME/.schrodinger on Linux, %APPDATA%\Schrodinger on Windows), create a directory (folder) named mmshare, if it does not already exist.
2. In the Schrödinger software installation, go to mmshare-vversion/data/mmconf_rc_database.
3. Copy the files mmconf_rc_tmpl_macrocycle* to the mmshare directory in your user resources area.
4. Copy the file mmconf_rc_list_local_tmp to the mmshare directory in your user resources area and rename the copy to mmconf_rc_list_local.

Keywords: macrocycle macrocyclic

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