Greg,
I just done it a quick try and it seems to be working fine for me!
Is it allowed to mix V2000 and V3000 formats within the same SDF file?
Igor
On Sat, Dec 28, 2013 at 1:43 PM, Greg Landrum <greg.land...@gmail.com>wrote:
> 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
>>
>
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