Hi,
I'm not sure how well we cover GAMESS vs. Firefly formats. Please file a bug
report with the file:
http://github.com/openbabel/openbabel/issues
<http://github.com/openbabel/openbabel/issues>
Thanks and best regards,
-Geoff
---
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geo...@pitt.edu
twitter: @ghutchis
web: https://hutchison.chem.pitt.edu/
> On Nov 18, 2017, at 11:17 AM, Steve St-Gallay <steve.stgal...@gmail.com>
> wrote:
>
> Hi,
>
> I have output from Firefly version 8.2.0 that I tried to convert using this
> command:
> obabel -idat glucosePremin_conf001_vacuum.dat -opdb -O
> glucosePremin_conf001_vacuum.pdb
>
> but I got this error:
> ==============================
> *** Open Babel Error in ReadMolecule
> Problems reading an output file: Could not determine the format of this
> file. Please report it to the openbabel-discuss @ lists.sourceforge.net
> mailing list.
> 0 molecules converted
>
> I'm attaching the dat file. Let me know if you need anything else.
>
> Kind regards,
>
> Steve
>
> --
> Steve St-Gallay <steve.stgal...@gmail.com>
> <glucosePremin_conf001_vacuum.dat>------------------------------------------------------------------------------
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