Dear Ansuman, this could help you, it explain how it's working on Phenix.refine
Echols, N., Morshed, N., Afonine, P.V., McCoy, A.J., Miller, M.D., Read, R.J., Richardson, J.S., Terwilliger, T.C., and Adams, P.D. (2014). Automated identification of elemental ions in macromolecular crystal structures. Acta Crystallographica D /70/, 1104–1114.
Nicolas Nicolas Foos PhD Structural Biology Group European Synchrotron Radiation Facility (E.S.R.F) 71, avenue des Martyrs CS 40220 38043 GRENOBLE Cedex 9 +33 (0)6 76 88 14 87 +33 (0)4 76 88 45 19 On 25/10/2016 11:04, ansuman biswas wrote:
Hi all, Is there any program (like ARP/wARP) available to locate the correct metal atom automatically in the electron density ? best, Ansuman
