Re: [COOT] Heparin in Coot

2023-11-01 Thread Paul Emsley
On 01/11/2023 18:02, Xuewu Zhang wrote: Hi Paul, Thanks so much for the quick response. Using the cifs from the new CCPEM library did the trick. Cifs from Phenix or an older version of CCP4 failed. I am not sure why (is there a flag in the cifs to tell Coot whether the molecule is a polymer

Re: [COOT] Heparin in Coot

2023-11-01 Thread Xuewu Zhang
Hi Paul, Thanks so much for the quick response. Using the cifs from the new CCPEM library did the trick. Cifs from Phenix or an older version of CCP4 failed. I am not sure why (is there a flag in the cifs to tell Coot whether the molecule is a polymer or individual units?) For others who may

[COOT] Heparin in Coot

2023-11-01 Thread Xuewu Zhang
Dear Paul, Can Coot handle heparin chains (not attached to protein) now? I was able to read a heparin chain in the PDB format, and import the cif restraints for the two sugar units (named IDS and SGN, from the phenix monomer library; Coot would recognize the molecule without them). However, it

Re: [COOT] Coot 1.1

2023-11-01 Thread Artem Evdokimov
Thank you for the hard work :) For many years now, Coot has been a mainstay of structural work and it is exciting to see the new release. Artem On Tue, Oct 31, 2023, 1:10 PM Paul Emsley wrote: > 18 months after the release of Coot 1 it's time for Coot 1.1 > > Coot 1.1 is a major change beyond

Re: [COOT] Coot 1.1

2023-11-01 Thread Eleanor Dodson
Congratulations to you all! I look forward to swearing at the changes, and appreciating the new features. Eleanor On Tue, 31 Oct 2023 at 17:10, Paul Emsley wrote: > 18 months after the release of Coot 1 it's time for Coot 1.1 > > Coot 1.1 is a major change beyond Coot 1. It has required a lot