http://www.chemaxon.com/marvin/examples/applets/sketch/rightName.abbrevgroup
There is also superatom.txt file which comes with OSRA of course :) Igor On Mon, 2009-11-23 at 13:25 -0500, Geoffrey Hutchison wrote: > 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 ------------------------------------------------------------------------------ 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
