Re: [ccp4bb] O-glycans in coot and phenix/refmac

2023-07-14 Thread Nigel Moriarty
To the point of refining in Phenix, once you have the glycans in place it should be automatic except for the first link of the tree. Send me the model and I can provide the necessary files for refinement. Cheers Nigel --- Nigel W. Moriarty Building 33R0349, Molecular Biophysics and Integrated Bi

Re: [ccp4bb] O-glycans in coot and phenix/refmac

2023-07-14 Thread Keitaro Yamashita
In the monomer library, pyr-SER and pyr-THR links are defined for the O-glycosylation. A monomer should belong to the "pyranose" group in the library (or in a user-provided dictionary). Best regards, Keitaro On Fri, 14 Jul 2023 at 09:22, Jon Agirre <17a7df66b7b3-dmarc-requ...@jiscmail.ac.uk>

Re: [ccp4bb] O-glycans in coot and phenix/refmac

2023-07-14 Thread Paul Emsley
On 14/07/2023 08:52, Jonas Emsley wrote: Dear All We have a crystal structure with O-glycans for the first time attached to a Ser and a Thr sidechain If anyone can recommend the procedure for adding these in coot and refining them in phenix /refmac that would be greatly appreciated Hi J

Re: [ccp4bb] O-glycans in coot and phenix/refmac

2023-07-14 Thread Jon Agirre
To the best of my knowledge, there is no o-glycan equivalent of the Coot glyco plugin. We (as in YSBL, York) are working with others to provide tools to build all kinds of glycans, but there's nothing you can use at this point. I would deal with it like I'd do with other modifications, get monomer,

[ccp4bb] O-glycans in coot and phenix/refmac

2023-07-14 Thread Jonas Emsley
Dear All We have a crystal structure with O-glycans for the first time attached to a Ser and a Thr sidechain If anyone can recommend the procedure for adding these in coot and refining them in phenix /refmac that would be greatly appreciated All the best jonas #