Re: [COOT] real space refinement of alpha-23 link between GAl and Sia fails

2023-11-22 Thread Keitaro Yamashita
restraints. Paul, could you please look into this? Best regards, Keitaro On Wed, 22 Nov 2023 at 19:53, Christian Roth wrote: > > Ah yes, sorry forgot that crucial information. It is Coot 0.9.8.92 Marina > Bay. Installed as part of CCP4 8.0. Currently on updated 16. > > Best &

Re: [COOT] real space refinement of alpha-23 link between GAl and Sia fails

2023-11-22 Thread Keitaro Yamashita
Dear Christian, What is the version of Coot, and how did you install it? Best regards, Keitaro On Wed, 22 Nov 2023 at 19:02, Christian Roth wrote: > > Hi, > I have a sugar ligand with a Sia linked alpha 23 to Gal. Refinement with > Refmac of phenix works and the link is recognized from the

Re: [COOT] MDO Unnatural modified Amino acid

2023-09-22 Thread Keitaro Yamashita
As Lucrezia explained, group names in the monomer library are fixed after Acedrg. To be a peptide, a monomer should have N/CA/C/O/OXT/H/H2/H3 atoms with the proper bonding pattern. If the atom names are different, they will be demoted to NON-POLYMER and an alias will be added. This was partly

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

Re: [COOT] Displaying and saving local symmetry copies

2022-10-27 Thread Keitaro Yamashita
I tried this again - now using add_molecular_symmetry(). Last time (when 0.9.6 was released) I tried add_molecular_symmetry_from_mtrix_from_self_file() and it did not work; it was apparently because translation part of MTRIX is taken as 2 times origin value. Now I give origin of symmetry to

Re: [COOT] No signal color appeared in the refinement dialog

2011-07-25 Thread Keitaro Yamashita
Dear all, I found that it worked if I used GNOME instead of KDE. It's strange to me because it works in KDE of older version of openSUSE. But now there's no problem. Thanks, Keitaro 2011/7/20 Keitaro Yamashita yamash...@castor.sci.hokudai.ac.jp: Dear COOT  developers and users, I compiled