> The multiple fragments are coming from different OBMol objects already > established where I'm also doing some rotation and translation. What is the > best way to combine these multiple fragments to a single OBMol object for the > minimization?
You'll want to make sure the coordinates of the fragments don't overlap, but you can simply use the += operator in C++: mol += otherMol; Hope that helps, -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
