From: Egon W. <ego...@gm...> - 2010-08-09 07:27:56
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Hi Yogesh, On Mon, Aug 9, 2010 at 3:25 AM, Yogesh <yog...@gm...> wrote: > How can I write a SDF file with two structures in a single row? A row? The MDL/Symyx SD file format is a plain text file format... I don't think you can do rows in SD files, but not sure either why you would want to do that. Are you referring to displaying the content of an SD file in a table or matrix? > Also some properties for each structure need to be written. Use IAtomContainer.setProperty("Foo", "Bar") to get is as property in the SD file. > Firstly, is this possible? No, rows are outside the scope of SD files. Egon -- Post-doc @ Uppsala University Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers |