[ccp4bb] Cis/trans double bonds in refmac/coot

2008-05-22 Thread Nicholas Keep
I have a structure with an unsaturated lipid in the active site, which according to the chemists has one cis and one trans double bond. I would expect these to be controlled by the torsion angles in the cif files. However altering torsions between 0 and 180 makes no difference to the

Re: [ccp4bb] Cis/trans double bonds in refmac/coot

2008-05-22 Thread Paul Emsley
Dear Nic(holas), Nicholas Keep wrote: I have a structure with an unsaturated lipid in the active site, which according to the chemists has one cis and one trans double bond. I would expect these to be controlled by the torsion angles in the cif files. Yes, and a planar restraint (which is