> With a build from SVN 4747 that I compiled on OS X on Friday, I get a > perfectly reasonable set of 3D coordinates from Ferenc's 2D input. So I > wonder if this is a compilation problem rather than a software one.
I put in a fix -- there was an issue with generating coordinates when multiple initial coordinates were collinear. I stand by my previous statement that the best way to make coordinate generation "bullet-proof" is to add a distance geometry method on top of the existing template-based builder. Cheers, -Geoff ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
