<br>Hi Guido,<br><br>I have also been having trouble with the MoleculeFactory class in MMTK. I have tried the fix that you posted to the mailing list but I haven't gotten it to work yet. I don't have an older version available to compare with. I was wondering if you could tell me which lines were included in the test (
i.e what lines in ChemicalObjects.py were conditional on blueprint not being none). <br><br>Cheers,<br><br>Seth<br><br><div><span class="gmail_quote">On 3/6/06, <b class="gmail_sendername">Guido Wagner</b> <<a href="mailto:wagner@chemie.uni-frankfurt.de">
wagner@chemie.uni-frankfurt.de</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Hi !<br><br>I updated from MMTK 2.5.7 to MMTK
2.5.13 and had problems using the molecule<br>factory. The example molecule_factory.py that comes with MMTK does not work<br>too. In the new version of ChemicalObjects.py the tests<br><br>"""<br>if blueprint is not None:
<br> ...<br>"""<br><br>are removed. I did not check why they shold be necessary or not, but if I add<br>the test again to line 749 (new version) the example and my program work<br>fine.<br><br>CU Guido Wagner
<br><br>_______________________________________________<br>mmtk maillist - <a href="mailto:mmtk@starship.python.net">mmtk@starship.python.net</a><br><a href="http://starship.python.net/mailman/listinfo/mmtk">http://starship.python.net/mailman/listinfo/mmtk
</a><br></blockquote></div><br><br clear="all"><br>-- <br>ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms<br><br>Dr Seth Olsen, PhD<br>Postdoctoral Fellow, Biomolecular Modeling Group<br>Centre for Computational Molecular Science
<br>Australian Institute for Bioengineering and Nanotechnology (Bldg. 75)<br>The University of Queensland<br>Qld 4072, Brisbane, Australia<br><br>tel (617) 3346 3976<br>fax (617) 33654623<br>email: <a href="mailto:s.olsen1@uq.edu.au">
s.olsen1@uq.edu.au</a><br>Web: <a href="http://www.ccms.uq.edu.au">www.ccms.uq.edu.au</a> <br><br>ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms<br>The opinions expressed here are my own and do not reflect the positions of the University of Queensland.