Re: [ccp4bb] Refmac ligand refinement question

2010-03-01 Thread Eleanor Dodson
Katarina Moravcevic wrote: Dear all, I am refining a structure of a protein in a complex with phosphorylated ligand (inositol ring). My problem is that after restrained refinement with Refmac, the ring is distorted in geometrically impossible ways. Could anybody advise me on how to deal with th

[ccp4bb] Refmac ligand refinement question

2010-02-25 Thread Katarina Moravcevic
Dear all, I am refining a structure of a protein in a complex with phosphorylated ligand (inositol ring). My problem is that after restrained refinement with Refmac, the ring is distorted in geometrically impossible ways. Could anybody advise me on how to deal with this problem? Ideally, I would