> Well, we aren't exporting SD files, just MOL files. Let's just > implement an SDF file writer and do that right rather than faking it.
Bob, you're right, but that's not exactly the situation. I didn't make myself clear enough. MOL and SD formats are exactly the same except for the $$$$ line needed in SDF at the end of the model. What I think we should do is to adhere to the official spec as close as reasonable. That affects MOL export too. If it's not a problem to implement "write myfile.sdf" too, then the only difference is the addition of the $$$$ line (since I don't think we need to support export of multi-model files to SDF format). Then still the MOL exporter needs fixes/improvements. I have them ready and working locally. Then there is the additional issue that Symyx is promoting the use of V3000 spec in both MOL and SDF formats, but given Jmol role as mainly a viewer and the current acceptance of the V2000 MOL by any software, I think we are OK with this. Incidentally, my interest on this export business comes from models that have been converted from 2D to 3D in Jmol, or have been minimized. ------------------------------------------------------------------------------ Lotusphere 2011 Register now for Lotusphere 2011 and learn how to connect the dots, take your collaborative environment to the next level, and enter the era of Social Business. http://p.sf.net/sfu/lotusphere-d2d _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
