Hi,
>>> Usually, I use obgrep (Open Babel 2.3.2) with smiles files, but today I
> >>> tried with an sdf - and it doesn't work. There is no match, and no
> error
> >>> message (e.g.
> >>> obgrep 'C' methane.sdf
> >>> gives no output, as if there were no match.
>
Trying with a "_" in the molecule n
I don't know how obgrep works, but similar functionality in obabel
works like this:
C:\Users\noel>obabel methane.sdf -osmi -s "C"
C
Note that using single quotes fails (at least on Windows).
- Noel
On 11 June 2013 15:44, Pascal Muller wrote:
> - Sorry, forgot to cc the list -
>
>
> Hi,
>
>
>>
- Sorry, forgot to cc the list -
Hi,
>
>
>> Usually, I use obgrep (Open Babel 2.3.2) with smiles files, but today I
>> tried with an sdf - and it doesn't work. There is no match, and no error
>> message (e.g.
>> obgrep 'C' methane.sdf
>> gives no output, as if there were no match. Tried with
