[COOT] rotamer selection

2023-08-24 Thread Daniel Larsson
Hi Paul, I have some suggestions/requests for facilitating sidechain modelling. * Option to have the rotamer tool default to the rotamer most closely resembling the current rotamer (now it defaults to the most common rotamer) * Option to have the rotamer tool default to the rotamer

Re: [COOT] Coot 9.8.91 is still broken

2023-08-24 Thread Paul Emsley
On 24/08/2023 15:53, Helge Paternoga wrote: I just had the chance to try out the new Coot version 9.8.91 from CCP4 and I would like to report that RSR of ribosomes is still broken Thank you. I will get to this shortly. I had been hoping to solve the problem without a general-purpose (and

Re: [COOT] Coot 9.8.91 is still broken

2023-08-24 Thread Keitaro Yamashita
Dear Helge, > G533 in chain a > C823 in chain A > G1186 in chain A > C1147 in chain A > A614 in chain a These are actually what I just reported to Paul - the "DNA-SER" link problem, while some of them are DNA-TYR, but the same issue. Coot tries to make these links when RNA/DNA residues are close

[COOT] Coot 9.8.91 is still broken

2023-08-24 Thread Helge Paternoga
Dear Paul, I just had the chance to try out the new Coot version 9.8.91 from CCP4 and I would like to report that RSR of ribosomes is still broken (albeit not as severely as before). You can have a look at PDB-7K00 for examples: https://www.rcsb.org/structure/7K00