> My code snippet (based on the example from the OBChargeModel > documentation) is as follows:
Have you created an OBConversion object? We changed the way plugins are loaded in OB 2.3.x, and it currently requires that an OBConversion object is created to find plugins. This will be fixed in 2.4, but that doesn't help you now. > OBChargeModel obCharges = OBChargeModel("mmff94", true); You just created a default OBChargeModel object, but gave it an MMFF94 label -- that doesn't actually bring any of the code along with it. I'd make sure the plugins are loaded, and you should be fine. Thanks, -Geoff ------------------------------------------------------------------------------ Ridiculously easy VDI. With Citrix VDI-in-a-Box, you don't need a complex infrastructure or vast IT resources to deliver seamless, secure access to virtual desktops. With this all-in-one solution, easily deploy virtual desktops for less than the cost of PCs and save 60% on VDI infrastructure costs. Try it free! http://p.sf.net/sfu/Citrix-VDIinabox _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss