Dear Bernhard,
a) will be fixed in the next release by changing %MMCIFDIC%; for now the
workaround is what you wrote. Thanks for reporting it.
d) it's ok, ccp4-6.2.2.msi is a new packages for version 6.2.0.
Someone else may address b) and c)
Regards,
Marcin
________________________________________
From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Bernhard Rupp
(Hofkristallrat a.D.)
Sent: Thursday, December 29, 2011 6:49 AM
To: ccp4bb
Subject: [ccp4bb] cif_mmdic.lib
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
-----------------------------------------------------------------
Bernhard Rupp
001 (925) 209-7429
+43 (676) 571-0536
b...@ruppweb.org
hofkristall...@gmail.com
http://www.ruppweb.org/
-----------------------------------------------------------------
No animals were hurt or killed during the
production of this email.
-----------------------------------------------------------------
