Hello, I tried to assign a cell with space group F d -3 m to a PDB file using pdbset. Since it did not recognize the string 'F d -3 m' (nor 'F d -3 m :1') , I used the space group number 227. This resulted in the space group string 'F d -3 m :' in the PDB-file instead of 'F d -3 m :1' as it is listed in syminfo.lib, and hence coot refused to display the symmetry mates for the molecule.
When I add the missing '1' in the resulting PDB-file, coot does display the cell, but when I ask to display the symmetry mates, coot chokes and consumed all my cpu power (for 8 molecules present in the unit cell...) until I killed it. I was wondering if this is a known bug in syminfo.lib (and/or the dependent programs) and if there is a way around it (without using phenix.get_me_out_of_here, I could of course use xp instead of coot for such a small molecule). Kind regards, Tim P.S.: The bug in pdbset persits also in pdbset from ccp4-6.1.3 -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
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