Hello RL,
The problem could simply be that there's a pattern file missing in the
installer. I'll look into it.
Say hi to John.
- Noel
2009/4/16 R.L. Marchese-Robinson <rl...@ca...>
> Hi,
> I am working with Windows XP (32 bit).
>
> Following the instructions provided
> at:http://openbabel.org/wiki/Install_Python_bindings, I installed
> OpenBabel-2.2.1 using the installer OpenBabel2.2.1-Windows_Installer.exe.
> Since I am using python 2.5.2, I downloaded and ran
> openbabel-python-1.4.py2.5.exe.
>
> The output for all commands detailed in the instructions was as per the
> example output, save for import pybel. This generated: "***OpenBabelError
> in OpenBabel::OBDefine Failed to make an instance PatternFP"
>
> No such error was generated using "import openbabel"
>
> I can't find any specific documentation for this problem, but I believe it
> may be due to an error in fingeprints3.cpp. The only discernable effect
> would appear to be that molecule.calcfp('FPX') (where X DOES NOT EQUAL FP2)
> returns an empty list.
>
> Is the only way to fix this to modify fingerprints3.cpp and recompile from
> source?
>
> Thanks in advance for any assistance.
>
> Richard Marchese
>
>
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