> Glancing over the source I found "minenergy" and "minrmsd" to be > implemented but the respective command-line parameter ignored. Is > there any particular reason for this?
They were crashing for me. Certainly if you're willing to test them, I'd be happy to try a patch. > "--converge #" output by "obabel -L conformer" is ignored since the > programme actually looks for "--convergence #". I would suggest to > change one of the two to avoid possible further confusion. Hmm, good suggestion. -Geoff ------------------------------------------------------------------------------ "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
