A follow-up question,
Is it possible to extract coordinates (xyz) from these O, N atoms which are
attached to one/two Hs using babel (lets say from a mol2/sdf file)? Or I
need to use rdkit or custom python scripts for such tasks?
thanks a lot.
On Thu, Sep 12, 2019 at 11:14 AM Vaibhav Dixit
wrote
> Is it possible to extract coordinates (xyz) from these O, N atoms which are
> attached to one/two Hs using babel (lets say from a mol2/sdf file)? Or I
> need to use rdkit or custom python scripts for such tasks?
While the babel command line offers a lot of features it obviously can't offer
e
