From: Egon W. <eg...@us...> - 2004-12-17 19:23:31
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On Friday 17 December 2004 20:19, Egon Willighagen wrote: > On Friday 17 December 2004 19:37, Rajarshi Guha wrote: > > I was wondering if it is possible to represent CDK objects as CML. > > I realize that it would probably not be possible for all types. But for > > types such as Atom, AtomContainer, Bond, Molecule etc - would it be > > possible to convert them to a CML representation? If it is possible can > > it be automated or would a 'serializer' routine need to be written for > > each type of CDK object that would be serialized? > > See cdk/libio/cml/Convertor.java And if you want String or File etc, use cdk/io/CMLWriter.java Egon -- eg...@us... GPG: 1024D/D6336BA6 |