See attached Perl program. If you can run a Perl program, it does exactly
what you need, and a few more things too.
Craig
On Thu, Jan 31, 2019 at 12:03 PM gehtalles wrote:
> I got a massive SDF file with some 300k structures I need to split into
> smaller files
>
> I tried
>
> babel infile.sdf
You want to use the "copy" format:
https://openbabel.org/docs/dev/FileFormats/Copy_raw_text.html
e.g.
obabel infile.sdf -O outfile.sdf -ocopy -f 1 -l 1000
Hope that helps,
-Geoff
---
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email:
I got a massive SDF file with some 300k structures I need to split into
smaller files
I tried
babel infile.sdf -isdf -osdf -f 1 -l 1000 -O outfile.sdf
but all meta data defined in
>
data content
are discarded in the outfile.
Is there an option I missed to include them in the new file?
