Hi Abhishek, At the moment, there isn't. However, the decision to use anisotropic B-factors is based on comparing the refinement a fully isotropic model with that of a fully anisotropic model using the Hamilton test. So it should be safe to use anisotropic B-factors for all atoms.
Cheers, Robbie > -----Original Message----- > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > Abhishek Anan > Sent: Monday, October 16, 2017 19:12 > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] exclude water from anisotropic refinement in PDB_REDO > > Hi all, > > Is there a way to exclude water from anisotropic refinement in PDB_REDO? > > > Best regards, > > > Abhishek
