Dear Developers,
A few observations during data import/export
ccp4i win 64 installed from ccp4-6.2.2.msi
a) cif2mtz 6.2 says:
>>>> CCIF signal CCIF_FOPEN (severity: SEVERE ERROR/FATAL) <<<<
(Raised in zzs_undump)
Cannot open file C:\CCP4\6.2\lib\data\cif_mmdic.lib for reading!
This file is in C:\CCP4\6.2\lib
and not in
C:\CCP4\6.2\lib\data
- copying it there fixes the problem.
b) in 'Convert from MTZ', selecting SHELX as format, the HKL extension shows
up twice, plus a comma, in the HKLOUT gui line
r3k78sf.hkl,.HKL
c) Question: any particular reason why the cell parameters and SG are not
read from the mmcif and need to be entered by hand?
d) is it normal that the header in the GUI window says
'CCP4 Program Suite 6.2.0 CCP4Interface 2.1.0 runing on .....'
when I install 6.2.2 ? Or did something go wrong?
Best regards, BR
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Bernhard Rupp
001 (925) 209-7429
+43 (676) 571-0536
[email protected]
[email protected]
http://www.ruppweb.org/
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