This happens if you try to read a .pdb file from SHELXL into Coot directly. SHELXL doesn't know the name of the space group (!), only the symmetry operators (with the advantage that it has no problems with non-standard settings) so it doesn't put the name of the space group onto the CRYST1 line. An elegant way around this problem is to read the .res file from SHELXL into Coot instead, or you can edit the CRYST1 line in the .pdb file.
George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-2582 On Tue, 4 Dec 2007, Tim Gruene wrote: > Your pdb-file should contain a line starting with CRYST1 containing cell > dimensions and space group. Maybe this is not the case for your pdb-file? > > What is the output of > grep CRYST1 pdffile > where you replace 'pdffile' with the name of the file you are loading into > coot? > > Tim > > -- > Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > > On Mon, 3 Dec 2007, Vineet Gaur wrote: > > > Hi All > > i want to display symmetry molecules in COOT, but regularly getting the > > following warning: > > There are no model molecules that can display symmetry (Cryst1 problem). > > > > How to troubleshoot this Cryst1 problem > > > > thanks in advance > > > > Vineet gaur > > > >
