<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div>Looking for suggestions — cctbx/phenix seems not to be able to handle a triclinic lattice with centering.<br class=""><br class="">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 <br class=""><br class="">A 1 diagram: <a href="http://img.chem.ucl.ac.uk/sgp/large/001bz1.htm" class="">http://img.chem.ucl.ac.uk/sgp/large/001bz1.htm</a><br class=""><br class="">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?<br class=""><br class="">Thanks in advance.<br class=""><br class=""><br class=""></div><br class=""><br class="">
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