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

2023-11-23 Thread Paul Emsley
On 22/11/2023 14:02, Keitaro Yamashita wrote: CAUTION: This email originated from outside of the LMB. Do not click links or open attachments unless you recognize the sender and know the content is safe. .-owner-c...@jiscmail.ac.uk-. Great, you are using the very latest CCP4 (with the latest

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

2023-11-22 Thread Christian Roth
Hi Keitaro, thanks for confirming this. Strange that if found a link to C1? It needs to be C2, because C1 is not part of the ring. I tried with pdb-ID 6xtg and it also didn't work. Yes, refmac identified the link and lists it in the log file. Best Regards Christian On Wed, Nov 22, 2023 at 3:03 

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

2023-11-22 Thread Keitaro Yamashita
Great, you are using the very latest CCP4 (with the latest monomer library). I suppose Refmac properly identified the "ALPHA2-3" link which should also appear in the PDB header (LINKR). Using Coot, I just tried PDB 2osx which includes the ALPHA2-3 link between GAL (B/2) and SIA (B/3). As you

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

2023-11-22 Thread Christian Roth
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 Christian On Wed, Nov 22, 2023 at 11:14 AM Keitaro Yamashita < keitaro-yamash...@g.ecc.u-tokyo.ac.jp> wrote: > Dear Christian, > > What is the version of

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