Thank you both for the tips.
I guess Noel got it when he said that " The general rule is that you
shouldn't delete pointers returned by Open Babel API calls". That what I
was doing when trying to delete an OBMol object. "Not deleting" solved the
issue.
I consider myself a scientist that programs
> I haven't had a chance to test this but it looks like you're deleting
> pointers that you shouldn't be. Only call "delete" if there is a
> corresponding "new". The general rule is that you shouldn't delete pointers
> returned by Open Babel API calls, unless the documentation explicitly states
I haven't had a chance to test this but it looks like you're deleting
pointers that you shouldn't be. Only call "delete" if there is a
corresponding "new". The general rule is that you shouldn't delete pointers
returned by Open Babel API calls, unless the documentation explicitly
states that the ca
Hi Noel,
thanks for your reply.
A complete code is pasted below.
The code is compiled with no problems and when executed, I get the
following (and expected) output:
$ McConf 169517407.mol2.gz
*
It would help us if you could provide the shortest possible (but complete)
example code that exhibits the problem. As it is, you say the problem is
when you delete the molecule, but there is no line that deletes the
molecule.
On Thu, 27 Feb 2020 at 16:19, Alessandro S. Nascimento <
asnascime...@if
