Dear Paul,
> what I want to obtain: Add all possible hydrogens, i.e. every N.3 becomes
> N.4, and every COO- becomes COOH.
Ok - let's use a acid pH of 1, then (option -p1).
> For this purpose, I tried the following things:
> "babel -imol2 b_noH.mol2 -pX -omol2 b_noH_out.mol2"
> X was either 1, 7
Hi,
>> But, is not possible put the name for each molecule that appear in the sdf
>> file?
> I can see that this would be useful, but at present the molecule title
> cannot be used as the output file name with babel or obabel.
>
> It would probably be possible using a simple Python script.
>
Su
