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We are using ccp4-6.0.1 and the libcheck and sketcher packaged with this installation. I should make it clear--I don't know where the name change is taking place. I "told" sketcher to look for "GLC-b-D". When I select the file name in sketcher as the monomer to open up, it claims the name is GLC-b-D, which matches the actual file name in the mono_lib directories (GLC-b-D.cif). The three-letter code, GLC, is a valid synonym for GLC-b-D, at least according to mon_lib_list.html. I assumed, though I don't know it for a fact, that the error handling just dumps out names in all-caps and some other error caused the original problem. If there is some sort of all-caps conversion going on with the file names, I would have thought I would have trouble opeing NAG-b-D (by way of example) for the same reason, but that file loads in sketcher (and therefore passes through libcheck) just fine. Of course, I can make (in fact, have made) my own model of glucopyranose, read it's pdb file into sketcher, calling it something other than GLC, and make my own dictionary entry for the compound, but it seems to me I shouldn't have to do this. The compound is already in the monomer library. I just can't seem to access its description/restraints for some reason. So I remain puzzled as to what is going wrong. I do appreciate the suggestions, though. Thanks to all, BobC -----Original Message----- From: Garib Murshudov [mailto:[EMAIL PROTECTED] Sent: Monday, July 24, 2006 5:11 PM To: Crowther, Robert L {DISC~Nutley} Subject: Re: [ccp4bb]: Problem reading in glucose molecular description Dear Bob What version of refmac, libcheck and dictionary are you using? regards Garib On 24 Jul 2006, at 19:05, Crowther, Robert L wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > 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. > [EMAIL PROTECTED] > >
