![](https://secure.gravatar.com/avatar/c39101e795aeb66f89960b836a1f9dea.jpg?s=120&d=mm&r=g)
22 Jan
2021
22 Jan
'21
9:59 a.m.
Dear all, I would like to run phenix.ligandfit with a cif file I have already generated with acedrg or grade. This is not really required, just for comparison reasons. Would be nice. There is the parameter cif_already_generated= False / True But how do I define the cif file? Many thanks and best regards! Guenter