> I'm just curious. Does anyone know why we are setting the space group to P1 > here in fillUC?
I think the intent had been that a full transformation occur. But no, obviously the PDB file doesn't represent P1. Feel free to fix it. Thanks, -Geoff ------------------------------------------------------------------------------ Attend Shape: An AT&T Tech Expo July 15-16. Meet us at AT&T Park in San Francisco, CA to explore cutting-edge tech and listen to tech luminaries present their vision of the future. This family event has something for everyone, including kids. Get more information and register today. http://sdm.link/attshape _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
