Hi Sergey, I have a question about the coordinates generated by the MCDL code.
When you generate the coordinates for a depiction, in which direction does the y coordinate increase? Is it like in maths, where the y coordinate increases as you go up the screen, or is it the opposite? Now you might say it doesn't matter but we need to decide a convention (as it affects the stereochemistry), and I'm sure you had a particular direction in mind, and it probably looks better in that direction (e.g. I note that C with four groups has one vertical bond where the terminal group has a less positive y value indicating that perhaps you intended the y coordinate to decrease as you go up the screen). Regards, Noel P.S. For the record, the MDL convention is like in maths, whereas SVG has the opposite. Internally in Open Babel, the 2D stereo perception code assumes the MDL convention, and so we need to invert the y coordinates if reading any 2D file format with the opposite convention (this is something I'm just realising now). Yet another reason why no-one should ever store chemistry in a 2D format (use 0D or 3D). ------------------------------------------------------------------------------ vRanger cuts backup time in half-while increasing security. With the market-leading solution for virtual backup and recovery, you get blazing-fast, flexible, and affordable data protection. Download your free trial now. http://p.sf.net/sfu/quest-d2dcopy1 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
