<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">How do you get Chimera to recognize centrosymmetric space groups.<div><br></div><div>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.</div><div><br></div><div>I'm using Tool->Higher-Order Structure->Unit cell</div><div><br></div><div>For example adding the space group in column 56 of the PDB</div><div>P1 as P 1 - all's good</div><div>P-1 as P -1 - complete nonsense although it recognizes there are two symmetry elements</div><div>P2 as P 1 2 1 - all's good</div><div>P21 as P 1 21 1 - all's good</div><div>P212121 as P 21 21 21 - no problem</div><div>But;</div><div>P21/c as P 1 21/c 1 - no recognized symmetry elements and no unit cell expansion.</div><div><br><div apple-content-edited="true"> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: 'Bradley Hand ITC TT'; font-size: 20px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div><div><div><div><div><div>Cheers,</div><div>Mike</div><div><br></div><div><<< ------------------------------------------------------------------------>>></div><div>Dr. Michael W. Day</div><div>Director - X-ray Crystallography Lab & Molecular Observatory</div><div>California Institute of Technology</div><div>Mail Code 139-74</div><div>Pasadena, CA 91125</div><div><br></div><div><>< <>< <>< <>< <>< <>< <>< <>< <>< <><</div><div><br></div><div>Beckman Institute, Room 116</div><div>Phone: (626) 395-2734</div><div>Fax: (626) 449-4159</div><div>e-mail: <a href="mailto:mikeday@caltech.edu">mikeday@caltech.edu</a></div><div><<< ------------------------------------------------------------------------>>></div></div></div></div></div></div></div></div></span> </div><br></div></body></html>