I think there is an error of case.
In one library the GLC-b-D id mixed case, in another it is all uppercase
- or something like that!
I believe it is fixed in the latest release - and I think I got it to go
with CCP4-5.2 by copying it into my directory as a "new" entry and
changing the labels to be consistent..
Eleanor
Crowther, Robert L wrote:
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This will undoubtedly turn out to be something ridiculously stupid, but
for the life of me I can't get refmac to recognize GLC correctly to
refine a bound glucose molecule. I thought maybe I'd just numbered the
atoms incorrectly or something like that, so I tried to read in the
molecular description via sketcher. The file is clearly present and is a
valid selection under the D-pyranose group (as GLC-b-D) but libcheck
always fails with the fatal error message "ERROR: can't open
(.lib):g/GLC-B-D." (which is the same error I get while running refmac)
I don't know if the change in case is important or not--I wouldn't think
so, but what do I know; other files designated XXX-b-D seem to open
fine, (NAG-b-D, for example). There doesn't seem to be any silly
privelige problem and the .cif file looks to be OK. What can be wrong?
Bob Crowther,Ph.D.
Discovery Chemistry
Roche, Inc.
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