On Wed, Mar 30, 2016 at 2:47 PM, Tim Dudgeon <tdudgeon...@gmail.com> wrote:
> And there's no other way to generate a SDF from Java?
> e.g. can each ROMol be converted to text in SD format and then that text
> written to the Java OutputStream?
>
There's no way to do it in a single step.
You can get the mol block and the properties individually and then use
those, but that's not particularly nice.
I *think* I can pretty easily add a static method to the SDWriter class
that takes a molecule and optional list of properties as an argument and
returns the string that would go in to the SDF. This would then
automatically show up in the wrappers (I think). Let me investigate that.
-greg
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