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#415 cannot find forcefield

closed
nobody
5
2012-10-23
2008-07-17
Anonymous
No

I'm running on Windows Vista Home Basic
I try this in MS-DOS command line:

C:\Users\yonatan>obenergy benzene.mol2

*** Open Babel Error in OpenBabel::OBForceFieldUFF::ParseParamFile
Cannot open UFF.prm
==============================
*** Open Babel Error in OpenBabel::OBForceFieldUFF::SetTypes
Cannot open UFF.prm
obenergy: could not setup force field.

C:\Users\yonatan>

I downloaded and installed Open babel v2.2.0 for windows

my e-mail is: jonatg01@gmail.com

thank you !

I also tried to install openbabel via cygwin
and try this:

yonatan@yonatan-PC ~
$ obenergy benzene.mol2
==============================
*** Open Babel Error in OpenBabel::OBForceFieldUFF::ParseParamFile
Cannot open UFF.prm
==============================
*** Open Babel Error in OpenBabel::OBForceFieldUFF::SetTypes
Cannot open UFF.prm
c:\Program Files\OpenBabel-2.2.0\obenergy.exe: could not setup force field.

yonatan@yonatan-PC ~
$

I think something is wrong with the installation !

Discussion

  • Nobody/Anonymous

    a mol2 file of benzene

     
  • Chris Morley

    Chris Morley - 2008-07-17

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    Try setting an environment variable BABEL_DATADIR to the directory where OpenBabel was installed, probably, C:\Program Files\OpenBabel-2.2.0 . You can set environment variables in Control Panel/System/Advanced/Environment Variables. Post here again if this doesn't work.

    The installer should have set BABEL_DATADIR, and it not doing so has caused other problems too. The installer OpenBabel2.2.0_Windows_Installer2.exe does set it.

    Chris

     
  • SourceForge Robot

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    This Tracker item was closed automatically by the system. It was
    previously set to a Pending status, and the original submitter
    did not respond within 14 days (the time period specified by
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