Re: [ccp4bb] PDB-REDO question

2021-05-28 Thread Robbie Joosten
: CCP4 bulletin board On Behalf Of Joern > Krausze > Sent: Friday, May 28, 2021 10:26 > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] PDB-REDO question > >  Dear all, > > > I want to do the following: I want to download several structures from > PDB-REDO and pipe

[ccp4bb] PDB-REDO question

2021-05-28 Thread Joern Krausze
 Dear all, I want to do the following: I want to download several structures from PDB-REDO and pipe them into Refmac5 for re-refinement, replacing the restraints dictionary of a certain ligand with a customized one. The refinement settings I want to keep otherwise unchanged. We are talking a