I think that would be a good idea. Once this is done, we can ensure that the SVG output inverts the coordinates, and then, I think, we will be ready to release.
- Noel On 26 May 2011 12:11, Sergey V. Trepalin <t...@chemical-block.com> wrote: > Hi, Noel > Coordinates are increased as in screen - the more Y value the lower point > will be. I understand the described problem and I will invert coordinates > this weekend. If you have additional suggestions-please, contact me. > With best wishes, Sergei > > > -----Original Message----- > From: Noel O'Boyle [mailto:baoille...@gmail.com] > Sent: Thursday, May 26, 2011 2:20 PM > To: Sergey V. Trepalin > Cc: Chris Morley; Openbabel-DEV > Subject: gen2d y axis origin > > 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
