Hi Qinhong, In terms of structure superposition and RMSD scoring within Xplor-NIH, ligands are not treated any different than any other molecules (e.g, protein). Am I missing something from your question?
Best, Guillermo ________________________________________ From: Val Yu [[email protected]] Sent: Friday, July 29, 2016 2:34 PM To: xplor-nih Subject: [Xplor-nih] Align small molecule in protein Hi, I know Xplor-NIH can fit my model set based on any selections. But sometimes I want to compare my ligand structure with ones in other crystal structures. Is there any software or server which can do this job conveniently? Thanks. -- Qinhong Yu Ames' Lab Department of Chemistry UC Davis _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
