On 08/04/2013 15:14, Kareem Khoury wrote:
> is it possible with Babel to re-order an sdf file based off of a data field
>
> I have an sdf file with a docking score data filed.
>
> i was looking at the --sort command but as far as i can tell it only
> sorts based off of descriptors.
You are right t
is it possible with Babel to re-order an sdf file based off of a data field
I have an sdf file with a docking score data filed.
i was looking at the --sort command but as far as i can tell it only sorts
based off of descriptors.
Thanks
-Kareem
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