I appreciate if anybody suggest following. I am trying to fit a ligand into a protein (covalently bonded) and refine using refmac5. I made .cif file (ligand.cif) using ccp4i which I provide to refmac5 during the refinement.
Question is how can I restrain the geometrical paramers of the similar bonds, angles and/or torsions of the ligand(s) during this refinement? My second question is if anybody wants to fit more than one ligand (different types), then how can s/he mention two or more .cif files in the refmac5 refiments ? I see it has only one place for providing .cif file as Library. Thanks Sam _________________________________________________________________ Kick back and relax with hot games and cool activities at the Messenger Café. http://www.cafemessenger.com?ocid=TXT_TAGLM_SeptWLtagline
