I resolved to write a small object to be sure that the essential set of data I was mostly interested in (i.e., atom and bond indices) is preserved when copying the molecule. It's far from elegant (just starting fiddling with OB), but it does the job for me.
There's a placeholder for copying also 'metadata' ('self.copyData), but it needs to be written. I've also added two look-up tables to be able to identify a bond by the atom pair involved, even after bond deletion (and indexing changes). I'm posting it because it could save some time to somebody looking of something similar. S -- View this message in context: http://forums.openbabel.org/Copy-molecule-Python-tp4657383p4657387.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