Thanks for the pointer, that seemed to work. It's working now (thouhg
I still had to manually copy the Python package from
/usr/local/openbabel/lib/python2.5/site-packages/ to my system wide
location).

But on running a small script that goes through a SMILES file I got a
bus error. here's the report:

Process:         Python [54607]
Path:
/System/Library/Frameworks/Python.framework/Versions/2.5/Resources/Python.app/Contents/MacOS/Python
Identifier:      Python
Version:         ??? (???)
Code Type:       X86 (Native)
Parent Process:  bash [38238]

Interval Since Last Report:          1452199 sec
Crashes Since Last Report:           39
Per-App Interval Since Last Report:  0 sec
Per-App Crashes Since Last Report:   1

Date/Time:       2010-08-30 13:00:53.730 -0400
OS Version:      Mac OS X 10.5.8 (9L31a)
Report Version:  6
Anonymous UUID:  A2D98871-6D26-4F54-8678-AD4490B75C0A

Exception Type:  EXC_BAD_ACCESS (SIGBUS)
Exception Codes: KERN_PROTECTION_FAILURE at 0x0000000000000000
Crashed Thread:  0

Thread 0 Crashed:
0   smilesformat.so                     0x02094f66
OpenBabel::SMIBaseFormat::ReadMolecule(OpenBabel::OBBase*,
OpenBabel::OBConversion*) + 1142 (smilesformat.cpp:277)
1   libopenbabel.4.dylib                0x00529269
OpenBabel::OBConversion::Read(OpenBabel::OBBase*,
std::basic_istream<char, std::char_traits<char> >*) + 217
(obconversion.cpp:773)
2   libopenbabel.4.dylib                0x005295c3
OpenBabel::OBConversion::ReadFile(OpenBabel::OBBase*,
std::basic_string<char, std::char_traits<char>, std::allocator<char>
>) + 403 (obconversion.cpp:979)
3   _openbabel.so                       0x010d132b
_wrap_OBConversion_ReadFile + 859 (openbabel-python.cpp:18106)
4   org.python.python                   0x00121505 PyObject_Call + 50
5   org.python.python                   0x0018f832 PyEval_EvalFrameEx + 17904
6   org.python.python                   0x00132960 _PyExc_Fini + 1438
7   org.python.python                   0x0018ee23 PyEval_EvalFrameEx + 15329
8   org.python.python                   0x00191173 PyEval_EvalCodeEx + 1638
9   org.python.python                   0x00191260 PyEval_EvalCode + 87
10  org.python.python                   0x001a883c PyErr_Display + 1896
11  org.python.python                   0x001a8e66 PyRun_FileExFlags + 135
12  org.python.python                   0x001aa7d2 PyRun_SimpleFileExFlags + 421
13  org.python.python                   0x001b5a57 Py_Main + 3095
14  org.python.pythonapp                0x00001fca 0x1000 + 4042

Thread 1:
0   libSystem.B.dylib                   0x921da6fa select$DARWIN_EXTSN + 10
1   libSystem.B.dylib                   0x921bc155 _pthread_start + 321
2   libSystem.B.dylib                   0x921bc012 thread_start + 34

Thread 0 crashed with X86 Thread State (32-bit):
  eax: 0xbfffe1dc  ebx: 0x02094b04  ecx: 0x00328c9c  edx: 0x00000000
  edi: 0xbfffe1e6  esi: 0x00328c90  ebp: 0xbfffe208  esp: 0xbfff5ff0
   ss: 0x0000001f  efl: 0x00010282  eip: 0x02094f66   cs: 0x00000017
   ds: 0x0000001f   es: 0x0000001f   fs: 0x00000000   gs: 0x00000037
  cr2: 0x00000000

<snip>


On Mon, Aug 30, 2010 at 12:49 PM, Geoffrey Hutchison
<ge...@geoffhutchison.net> wrote:
>> It turns out that I have v4 of the dylibs
>
> Do you have Open Babel installed anywhere else? You mentioned MacPorts. Did 
> you install OB at any point using MacPorts? I'd check /opt for a "v3" dylib. 
> Something is picking that up.
>
> Hope that helps,
> -Geoff



-- 
Rajarshi Guha
NIH Chemical Genomics Center

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