Dear Prasun, Le 16 nov. 2012 à 05:20, prasun kumar a écrit :
> Hi all > > I am using OpenBabel for generating symmetry mates for BERZON.cif (file > attached). It is having C 2m symmetry. I should get 8 equivalent points, but > getting only 5. Can some body please help me. All your atoms are in the y=0 plane, i.e. on a special position in C2/m (see http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-wp-list?gnum=12&gua=b), so each atom would only give 4 symmetrics in the unit cell. You probably get 5 because you'd also get the translated atoms at y=1 (I have not tried). Vincent -- Vincent Favre-Nicolin http://inac.cea.fr CEA/Grenoble Institut Nanosciences & Cryogénie Laboratoire SP2M/Nano-structures et Rayonnement Synchrotron 17, rue des Martyrs 38054 Grenoble Cedex 9 - France Université Joseph Fourier http://www.ujf-grenoble.fr tél: (+33) 4 38 78 95 40 fax: (+33) 4 38 78 51 38 ------------------------------------------------------------------------------ Monitor your physical, virtual and cloud infrastructure from a single web console. Get in-depth insight into apps, servers, databases, vmware, SAP, cloud infrastructure, etc. Download 30-day Free Trial. Pricing starts from $795 for 25 servers or applications! http://p.sf.net/sfu/zoho_dev2dev_nov _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss