On Wed, Jan 25, 2012 at 2:31 AM, Christian Roth
Somehow the old restraits are already in the .eff file and the new ones are ignored how I could I avoid this. Simply closing the GUI an reopening?
Yes, and I'll fix that ASAP today... (sigh)
A last question regarding the hydrogens in refinement. For rebuilding it is nice to remove the hydrogens. Normally I use the commandline for this purpose. But It would be nice to do it automatically after refinement as a third pdb output in addition to the two standard outputs phenix_output.pdb and the phenix_output_reduce.pdb. Is there an option in the GUI to do this automatically. I thought I have seen this previously but cannot find it anymore
You're not the first person to ask for this, but I think we decided that we wanted to discourage people from depositing PDB files that had been modified post-refinement. However, since the PDB annotators often (usually? always?) do this anyway, we may be waging a futile battle. -Nat