Hi All,
this is how I use openbabel to compute descriptors, L5 is not working,
though (openbabel version is 2.3.1).
$obabel -:CCC -otxt --append MW -osmi
CCC 44.0956
1 molecule converted
$obabel -:CCC -otxt --append L5 -osmi
CCC nan
1 molecule converted
Thanks for your help, with best re
On 06/06/2012 13:39, Martin Guetlein wrote:
> Hi All,
>
> this is how I use openbabel to compute descriptors, L5 is not working,
> though (openbabel version is 2.3.1).
>
> $obabel -:CCC -otxt --append MW -osmi
> CCC 44.0956
> 1 molecule converted
> $obabel -:CCC -otxt --append L5 -osmi
> CCC