----
Brian Kelley
> On Oct 3, 2016, at 9:04 AM, Greg Landrum <[email protected]> wrote:
>
>>
>> I suppose I would prefer having something like
>>
>> MolToSDDataBlock
>>
>> Which can be used in conjunction with MolToMolBlock. I have often found
>> that many times data changes without molecule change so perhaps both could
>> be useful.
>
> But then that's a different problem entirely. :-)
Yes, it is writing as opposed to reading, you got me there, apologies for
conflating the two.
Speaking of which, is there utility for:
MolToMolBlock(m) + MolToSDDataBlock(m)
== SDData
Or in parsing
m = MolFromMolBlock(...)
MolPropsFromSDDataBlock(m, txt)
Which is what I was thinking about, just stated backwards.
I would find these useful for moldb operations.
Cheers,
Brian
>>
>
> -greg
>
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