bkchem for Debian ----------------- bkchem upstream notes --------------------- bkchem features =============== Drawing * bond-by-bond drawing * bond length and angle restrictions to assist with the drawing * ready to use templates of common rings * ability to expand common groups from abbreviated to structural form * radicals, charges... * arrows * rich text * color support * simple vector graphics (rectangles, circles, polygons etc.) Editing * unlimited undo and redo capabilities * aligning * scaling * rotation (2D, 3D) * aligning of molecules so that particular bond is horizontal/vertical * rotation of molecular fragments around bonds (conformation changes) * definition of personal preferred drawing style (bond lengths, widths, colors...) Export * full export to SVG (native data are transparently embedded into SVG file) * full export to OpenOffice Draw format * full export to Encapsulated PostScript * basic support for both CML1 and CML2 * Molfiles * generation of SMILES Import * basic support for both CML1 and CML2 * Molfiles * SMILES (subset) * INChI (subset) Other features * localization support (currently English, French, German, Czech and Polish translations are available) * native format is XML based * validity checking of drawn structures What can you expect from BKchem in future? ========================================== * Support for user written plugins * Better and more exports * Support for linear formulas (such as -CH2CH(COOCH3)2) * More arrow types What you should not expect from BKchem? ======================================= BKchem is developed for fun as a free-time activity. BKchem is free software. Therefor you should not expect: * proprietary formats export or import * features that don't make sense to the author(s) unless you implement them yourself (or convince us to implement them :o). How can you help ================ There are several ways you can help improve BKchem: * submit bug reports * translate BKchem to other languages * write exporters * write importers * submit other patches * help improve the appearance of BKchem by providing icons etc. * check or improve the documentation Any suggestions, requests, help offers or even flames are welcome. Please feel free to contact me on beda@zirael.org. There is also a public mailing list of BKchem users available. (written by Beda Kosata at http://bkchem.zirael.org) -- Daniel Leidert (dale)