Hi Igor,

It's underway.

Jan contributed an initial implementation that I've done a bit of further
work with. It's currently on a branch in git:
https://github.com/rdkit/rdkit/tree/Issue194_V3000MolWriter
I hope to have it merged onto the trunk in the next couple weeks after
we've both had a chance to do more testing.

More eyes/testers are certainly welcome. There aren't that many examples of
v3000 mol files I can find "in the wild" and to this point I have been
relying solely on Marvin sketch to confirm that things are reasonable.

-greg

On Saturday, December 28, 2013, Igor Filippov wrote:

> Greg,
>
> I remember you mentioned that adding v3000 mol format is a possibility -
> is it still in the plans?
> In any case I am adding my vote to this feature request!
>
> Best wishes for the holidays,
> Igor
>
------------------------------------------------------------------------------
Rapidly troubleshoot problems before they affect your business. Most IT 
organizations don't have a clear picture of how application performance 
affects their revenue. With AppDynamics, you get 100% visibility into your 
Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro!
http://pubads.g.doubleclick.net/gampad/clk?id=84349831&iu=/4140/ostg.clktrk
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to