Just a quick santity check, but does either obabel --gen3d or obgen work? In my hands both are giving seg faults starting from smiles. What is weird is that --gen2d is working fine.
I should specify that I am using OpenBabel 2.3.2 and starting from smiles produced by OpenBabel and I had no issues compiling it. Thanks in advance! Matt -- View this message in context: http://forums.openbabel.org/Is-it-possible-to-set-forcefield-when-using-gen3d-tp4657409p4657434.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ "Accelerate Dev Cycles with Automated Cross-Browser Testing - For FREE Instantly run your Selenium tests across 300+ browser/OS combos. Get unparalleled scalability from the best Selenium testing platform available Simple to use. Nothing to install. Get started now for free." http://p.sf.net/sfu/SauceLabs _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
