New Windows User having problems with Openbabel (not sure if the first posting worked)

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New Windows User having problems with Openbabel (not sure if the first posting worked)

Stuart
Dear OpenBabel community,
I recently installed this software on my computer primarily to prepare small molecules for docking but have been experiencing problems. Even just trying to work through the syntax tutorial with the command:

babel -isdf  'JQ1.sdf' -osmi 'outputfile.smi'

is returning errors. The error messages are:

*** Open Babel Warning  in OpenBabel::OBGlobalDataBase::Init
  Cannot open element.txt defaulting to compiled data.
==============================
*** Open Babel Warning  in OpenBabel::OBGlobalDataBase::Init
  Cannot open aromatic.txt defaulting to compiled data.
==============================
*** Open Babel Warning  in OpenBabel::OBGlobalDataBase::Init
  Cannot open atomtyp.txt defaulting to compiled data.
1 molecule converted
3 warnings 19 audit log messages

I thought there could be a problem with the environment variables but it seems to be okay. If anyone could help me troubleshoot these problems, I would really appreciate it!

Thanks.

Stuart
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Re: New Windows User having problems with Openbabel (not sure if the first posting worked)

Geoff Hutchison
> *** Open Babel Warning  in OpenBabel::OBGlobalDataBase::Init

Right - as it's saying, this is a warning, not an error. It can't find the data files (e.g., element.txt) and instead it's using data built into the binaries.

While I can't comment on the Windows package, it's not going to affect operation of the tools.

Hope that helps,
-Geoff

---
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: [hidden email]
web: http://hutchison.chem.pitt.edu/


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