Hello,
I' m using open babel (2.3.1 on Mac Os and I tried also 2.2.3 on a Linux
machine)
to add hydrogen atoms on a ligand, and it does not work.
The command I entered is:
babel -iXYZ ligand.xyz -oXYZ ligandH.xyz -h
as specified in the "help" list.
The generated file is exactly the same as the input file,
... without any hydrogen atoms added.
Then, I tried on a very simple case:
3
ethanol "backbone"
C 0.00000 0.00000 0.00000
C -0.68400 -1.18400 -0.48300
O -0.02400 -2.32700 -0.01700
It does not work either (either on Mac OS or a Linux machine).
I probably missed something when using openbabel.
Any help will be appreciated.
Thanks.
Ric
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