Chris, First off, this is great. Thanks to both you and Tim. (I hear he's been working on a 2D editor using Open Babel.)
> In this code OBDepict draws the molecule and an abstract class > OBPainter does the rendering. There are three derived classes, all of > which use an external library for the graphics. Do we need to add Cmake tests for the external libraries? I assume "yes." > I have tweaked OBDepict and written an SVGPainter implementation that ... > 2D coordinates are used if present, or automatically generated by > --gen2D for 0D and 3D molecules. I noticed your "superatom" list. I'm working on a list from ChemDraw -- which seems to be more comprehensive than the list currently in SVN. The ChemDraw aliases don't yet have SMILES, but they should be fairly easy to derive. This includes aliases like "C6H6" and "Ala", which seem to be useful for interpreting 2D files and depiction. I don't know if there are any other "open" lists, but I assume you've already done some hunting. Anyone with suggestions on where to get lists of 2D abbreviations? Cheers, -Geoff ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
