Hi Yogesh,
On Mon, Aug 9, 2010 at 3:25 AM, Yogesh <[email protected]> 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
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