> For example, if I read in a mol2 into OB and wish to delete a carbon atom,
> replace it with an oxygen and re-write that into a new file (that has all the
> carbon’s extra hydrogens deleted and in general a chemically correct
> molecule). Something in those lines.
>
I think that would be som
Hello,
Is there a good example in the API docs which illustrates how to modify a
molecule?
For example, if I read in a mol2 into OB and wish to delete a carbon atom,
replace it with an oxygen and re-write that into a new file (that has all the
carbon’s extra hydrogens deleted and in general
