I compiled the version in trunk, but I still get the same error: Traceback (most recent call last): File "calcrmsd.py", line 130, in <module> main(input_ext, reference, output_ext, testfile, options.rmsd_cutoff) File "calcrmsd.py", line 33, in main align = pybel.ob.OBAlign() AttributeError: 'module' object has no attribute 'OBAlign' ----------------------------- what I did is: 1) delete the previous version (since I installed it locally, I just delete the dirs) 2) export from svn trunk 3) compiled it with: cmake ../trunk/ -DRUN_SWIG=ON -DPYTHON_BINDINGS=ON -DEIGEN2_INCLUDE=/pathto/eigen-2.0.15/eigen-eigen-0938af7840b0 and then make, make install 4) add path: export PYTHONPATH=/usr/local/lib/python2.6/site-packages:$PYTHONPATH export LD_LIBRARY_PATH=/usr/local/lib:$LD_LIBRARY_PATH
Is there anything else I need to change? Thanks a lot! Boyu -- View this message in context: http://forums.openbabel.org/pybel-howto-calculation-of-RMSD-for-two-molecules-but-different-conformers-tp3338914p3704514.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Got Input? Slashdot Needs You. Take our quick survey online. Come on, we don't ask for help often. Plus, you'll get a chance to win $100 to spend on ThinkGeek. http://p.sf.net/sfu/slashdot-survey _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss