> >>> babel -isdf test1000.sdf -osdf test1000_nofrags.sdf -r >>> >>> I get 997 of the following errors, and only 3 molecules converted: >>> >>> *** Open Babel Error in DoTransformations >>> Error executing an option
To get back to Douglas's question, it's a non-obvious bug in the transformation code. OBMol::StripSalts() will return false if there is nothing to remove (e.g., there's only one component). That's fine, but for a transformation, it means you don't have to do any work -- just output the molecule. This is now fixed in SVN trunk and will go into v2.3.1. If you'd like a source code patch, please let me know. Thanks very much, -Geoff ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
