Re: [ccp4bb] nearestcell

2023-12-27 Thread Kay Diederichs
Dear all, a short summary: - SAUC and the Phenix tool worked well. - SIMBAD was also pointed out to me, but it stops with an error message both in my local CCP4 installation and in "CCP4 online". - The https://app.strubi.ox.ac.uk/nearest-cell/nearest-cell.cgi alternative to

Re: [ccp4bb] nearestcell

2023-12-27 Thread Herbert J. Bernstein
That is a live link to sauc, but I have not updated the database from the PDB in a while. Let me know if there is an urgent need for an update, Otherwise I am planning one for March. I normally build the database from COD and the PDB, but if CCDC wishes, we can add the CSD to the mix. For the

Re: [ccp4bb] nearestcell

2023-12-27 Thread Mike S
Hi Kay, http://flops.arcib.org:8084/sauc-1.1.1/ similar to the nearest-cell server, which seems to change its link and is harder to find (or stale link) https://app.strubi.ox.ac.uk/nearest-cell/nearest-cell.cgi HTH, Mike On Wed, Dec 27, 2023 at 1:39 PM Kay Diederichs <

Re: [ccp4bb] nearestcell

2023-12-27 Thread Pavel Afonine
Hi Kay, to address "(...) not elsewhere (...)", in Phenix GUI go to Tools then down to "Search PDB symmetry...". I've never used it myself nor do I know who added it in Phenix but from the description it looks like what you're looking for. Let us know if you have any problems with it. All the

Re: [ccp4bb] nearestcell

2023-12-27 Thread James Holton
Are you thinking of "othercell" ? On 12/27/2023 10:38 AM, Kay Diederichs wrote: Dear all, I seem to remember a tool called "nearestcell", a command-line equivalent of the Oxford Nearest-Cell web server which appears to be offline. However I cannot locate that tool in CCP4 nor elsewhere. Can

[ccp4bb] nearestcell

2023-12-27 Thread Kay Diederichs
Dear all, I seem to remember a tool called "nearestcell", a command-line equivalent of the Oxford Nearest-Cell web server which appears to be offline. However I cannot locate that tool in CCP4 nor elsewhere. Can anyone point me to it or give alternatives, please? (I did try the PDB's advanced