[COOT] coot scripting

2023-10-14 Thread Zhu JiaPeng
Dear all, I am currently working with a protein containing multiple subunits. For each subunit, I need Coot to perform rigid body fitting followed by real-space refinement. Manually inputting the Python commands rigid_body_refine_zone(reso_start, resno_end, chain_id, imol) and

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