Re: [COOT] Coot/mmdb2 issues with NCS and links in mmCIFs

2023-10-16 Thread Neil Rzechorzek
;COOT@JISCMAIL.AC.UK" Subject: Re: Coot/mmdb2 issues with NCS and links in mmCIFs External Sender: Use caution. On 13/10/2023 13:12, Neil Rzechorzek wrote: Dear colleagues, Hi Neil, I have been iteratively rebuilding and refining a crystal structure using coot (v. 0.9.8.91) and Phenix.

Re: [COOT] Coot/mmdb2 issues with NCS and links in mmCIFs

2023-10-14 Thread Paul Emsley
On 13/10/2023 13:12, Neil Rzechorzek wrote: Dear colleagues, Hi Neil, I have been iteratively rebuilding and refining a crystal structure using coot (v. 0.9.8.91) and Phenix. Refinement makes use of NCS restraints, and the structure additionally has some covalent links between protein

[COOT] Coot/mmdb2 issues with NCS and links in mmCIFs

2023-10-13 Thread Neil Rzechorzek
Dear colleagues, I have been iteratively rebuilding and refining a crystal structure using coot (v. 0.9.8.91) and Phenix. Refinement makes use of NCS restraints, and the structure additionally has some covalent links between protein sidechains and bound ligands. NCS parameters and links are