Hi Blanton, In the Python interface this is quite easy to do. Assuming the module "protocol" has been imported:
protocol.initRamaDatabase(type='nucleic', selection=<your-selection-here>) where the section argument is a string with the selection of atoms that will be affected by the potential (in your case, everything except the loop residues). I hope this helps. Best, Guillermo ________________________________________ From: Blanton Tolbert [[email protected]] Sent: Thursday, January 15, 2015 3:39 PM To: [email protected] Subject: [Xplor-nih] rna_refi Hi, I would like to use ran_refi to refine a NMR structure that contains non-canonical loops. How can I deselect the loop residues so they are not refined with database potentials? Thanks, Blanton ================================ Blanton S. Tolbert Assistant Professor Department of Chemistry, G22 Millis Hall Case Western Reserve University 10900 Euclid Avenue Cleveland, OH 44106-7078 phone: 216-368-0605<tel:216-368-0605> fax: 216-368-3006<tel:216-368-3006> ================================ _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
