Thanks for your answer and sorry for my late.
In fact the output from open-babel are good. I tried to use the output from
open-babel in order to find all the Rings, Links and side from a molecule
and when i have this warning all my vector are empty. In the other hand, if
i remove the --gen3D optio
> I have some troubles with the --gen3D option. On some files, i have this
> warning : WARNING: damped steplength
> and i can't do anything else after.
There shouldn't be any concern about this. Basically, it's suggesting that the
initial geometry is a bit crude. Often the resulting 3D geometry i
Hi all !
I have some troubles with the --gen3D option. On some files, i have this
warning : WARNING: damped steplength
and i can't do anything else after.
For ex: this is my line command :("obabel -ismi file.smi -osdf --gen3D")
I work on Ubuntu, i compiled openbabel (for the last version) by myse
