Re: [phenixbb] centered triclinic lattice

CCP4 doesn’t like space group A1 either :-(

On 14 Dec 2022, at 15:31, Cathy Lawson wrote:

Looking for suggestions — cctbx/phenix seems not to be able to handle a triclinic lattice with centering.

Specific Example: PDB entry 1LKS with cell parameters/space group “A 1”: CRYST1 31.970 65.080 27.250 94.57 111.56 82.98 A 1 2

A 1 diagram: http://img.chem.ucl.ac.uk/sgp/large/001bz1.htm

Are there any other options for working with this data in phenix other than creating an explicit 2nd copy of the coordinates at x, 1/2+y,1/2+z and setting space group to primitive lattice P 1?

Thanks in advance.

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