[Chimera-users] Centro-symmetric space groups

[Michael Day]

How do you get Chimera to recognize centrosymmetric space groups.

If I include the space group on the CRYST1 card of the PDB file all is  
well for non-centrosymmetric groups but when a center of symmetry  
enters the picture all bets are  off.

I'm using Tool->Higher-Order Structure->Unit cell

For example adding the space group in column 56 of the PDB
P1 as P 1 - all's good
P-1 as P -1 - complete nonsense although it recognizes there are two  
symmetry elements
P2 as P 1 2 1 - all's good
P21 as P 1 21 1 - all's good
P212121 as P 21 21 21 - no problem
But;
P21/c as P 1 21/c 1 - no recognized symmetry elements and no unit cell  
expansion.

Cheers,
Mike

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Dr. Michael W. Day
Director - X-ray Crystallography Lab & Molecular Observatory
California Institute of Technology
Mail Code 139-74
Pasadena, CA 91125

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Beckman Institute, Room 116
Phone: (626) 395-2734
Fax: (626) 449-4159
e-mail: mikeday at caltech.edu
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