Re: [COOT] fcf import from Shelxl2018 fails
On 22/02/2022 08:40, Bernhard Spingler wrote: Dear all, I am working with Coot 0.9.7 on Windows10. I try to import an fcf file, which was created by Shelxl2018/3 (the current version of Shelxl) into Coot in order to generate maps on the fly. Nothing happens in the graphical window. I get the following messages in the logfile (see below). Thanks a lot for your help! FYI: http://legacy.ccp4.ac.uk/newsletters/newsletter42/articles/newletter-july-2005-post-kevin1.pdf Still not fixed the symmetry bonds though :-) To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
Re: [COOT] fcf import from Shelxl2018 fails
Dear Tim, Thanks a lot for your fast reply. Yes indeed, the problem was caused that I did not set the following parameter in the Shelxl refinement: LIST 6. @Bernhard Lohkamp: The space in the path did not cause the problem. Thanks anyway! Best regards Bernhard To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
Re: [COOT] fcf import from Shelxl2018 fails
Hello Bernhard, what LIST code did you use? It should be LIST 6 to work with Coot. If it is indeed list 6, can you send the header and the first few lines of the reflection list? Cheers, Tim On Tue, 22 Feb 2022 08:40:10 + Bernhard Spingler wrote: > WARNING:: No (f_calc, phi_calc)s in file -- -- Tim Gruene Head of the Centre for X-ray Structure Analysis Faculty of Chemistry University of Vienna Phone: +43-1-4277-70202 GPG Key ID = A46BEE1A To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/ pgpRqNygtrmrr.pgp Description: OpenPGP digital signature
