From: Peter Murray-R. <pm...@ca...> - 2002-07-29 12:49:02
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Is anyone working on an OpenBabel reader for ChemDraw files (*.cdx)? I have recently implemented a Java CDX reader (which converts to CDXML and thence to CML) using the specs on the Cambridgesoft Web pages (thanks!). If anyone has also worked on this for OpenBabel I'd be happy to compare notes. If not, It should be fairly straightforward to convert my Java reader to C++ and I could make it available. Note that ChemDraw supports a very wide range of graphics objects and other chemical concepts (reactions, complex aggregates) which are outwith Babel's scope. However it seems possible to convert single molecules or simple aggregates to CML (and thence to Babel formats) P. |