Re: [COOT] Centos issues

2022-02-22 Thread Hruza, Alan
Thanks Paul, This this seems to have solved the problem. Best, Alan From: Mailing list for users of COOT Crystallographic Software On Behalf Of Paul Emsley Sent: Friday, February 18, 2022 3:16 PM To: COOT@JISCMAIL.AC.UK Subject: Re: Centos issues EXTERNAL EMAIL – Use caution with any links o

Re: [COOT] fcf import from Shelxl2018 fails

2022-02-22 Thread Paul Emsley
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 f

Re: [COOT] fcf import from Shelxl2018 fails

2022-02-22 Thread Bernhard Spingler
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 ##

Re: [COOT] fcf import from Shelxl2018 fails

2022-02-22 Thread Tim Gruene
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

[COOT] fcf import from Shelxl2018 fails

2022-02-22 Thread Bernhard Spingler
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). Th