You should compile with Eigen. See the docs (
http://open-babel.readthedocs.org/en/latest/Installation/install.html#requirements
).
- Noel
On 7 May 2014 11:04, Douglas Houston <dhous...@staffmail.ed.ac.uk> wrote:
> itiwks-> /usr/people/douglas/programs/openbabel-2.3.2/build/bin/obabel -L
> ops
> 0xout <file.xxx> Additional file output
> addfilename Append input filename to title
> AddInIndex Append input index to title
> AddPolarH Adds hydrogen to polar atoms only
> canonical Canonicalize the atom order
> energy ForceField Energy Evaluation (not displayed in GUI)
> fillUC Fill the unit cell (strict or keepconnect)
> gen2D Generate 2D coordinates
> gen3D Generate 3D coordinates
> largest # <descr> Output # mols with largest values
> minimize ForceField Energy Minimization (not displayed in GUI)
> partialcharge <method> Calculate partial charges by specified method
> readconformer Adjacent conformers combined into a single molecule
> s Isomorphism filter(-s, -v options replacement)(not displayed in GUI)
> smallest # <descr> Output # mols with smallest values of descriptor(not
> displayed in GUI)
> sort <desc> Sort by descriptor(~desc for reverse)
> unique [param] remove duplicates by descriptor;default inchi
> v Isomorphism filter(-s, -v options replacement)(not displayed in GUI)
>
> I see no mention of conformers right enough ...
>
> However obabel -H output includes the line:
>
> --writeconformers Output multiple conformers separately
>
>
>
>
>
>
> --
> View this message in context:
> http://forums.openbabel.org/Generating-a-diverse-set-of-conformers-tp4656011p4657399.html
> Sent from the General discussion mailing list archive at Nabble.com.
>
>
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