Hello! I am interested in the translation of crystallographic coordinates into Cartesian. During the conversion of *CIF file to *PDB file crystallographic coordinates are converted into Cartesian. However, when I have tried to translate coordinates, according to the formula introduced in the International Tables for Crystallography (2006, Vol. B, chapter 3.3), the results are different from those that your program gives. I would like to know, whether your program changes the origin of coordinates after translation of coordinates. And if so, how? Or perhaps the orientation of a molecule changes in relation to the coordinate axes.
Best wishes Denis Nikulov ------------------------------------------------------------------------------ Xperia(TM) PLAY It's a major breakthrough. An authentic gaming smartphone on the nation's most reliable network. And it wants your games. http://p.sf.net/sfu/verizon-sfdev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
