Hi Chris,
Worked like a charm. Thanks a lot.
But I couldn't find a documentation for --split
All I see is --splitinto docs.
-Jubilant
On Wed, Oct 25, 2017 at 4:08 AM, Chris Morley <c.mor...@gaseq.co.uk> wrote:
> On 25/10/2017 07:55, Sundar wrote:
>
> Can anyone help me convert a single input (multimolecular) sdf file into
>> multiple pdb files with the molecule names (as seen in the sdf file) as
>> their file names instead of consecutively numbered file names?
>>
>
> Try:
> obabel manymols.sdf -O dummy.pdb --split
>
> Each output file has a name in which 'dummy' is replaced by title of the
> molecule.
> (You can use -opdb to specify the output format, but OB uses the first
> extension for this format, which is .ent.)
>
> The output file name can also be made from other properties of the
> molecule.
>
> Read the description of --split:
> obabel -L split
>
> Chris
>
>
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