[Open Babel] computation of L5 not working via command line

2012-06-06 Thread Martin Guetlein
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

Re: [Open Babel] computation of L5 not working via command line

2012-06-06 Thread Chris Morley
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