Re: [COOT] disulfide bond breaks in coot 0.9.6

2022-05-15 Thread Paul Emsley
On 11/05/2022 22:28, Kenneth Satyshur wrote: I have a disulfide bond defined in the pdb as SSBOND. It shows up in coot as a link between the sulfur atoms. But when I use 'sphere refine' the link is broken and there is no disulfide bond. That doesn't sound right. How close are the SG atoms?

[COOT] disulfide bond breaks in coot 0.9.6

2022-05-11 Thread Kenneth Satyshur
I have a disulfide bond defined in the pdb as SSBOND. It shows up in coot as a link between the sulfur atoms. But when I use 'sphere refine' the link is broken and there is no disulfide bond. The same happens for my CYS to ZN ligands. They are defined with a 'LINK' line in the pdb. How do I tel