[OpenBabel-Devel] [ openbabel-Bugs-3528540 ] Stereo due to isotopes not supported

2012-05-21 Thread SourceForge . net
Bugs item #3528540, was opened at 2012-05-21 02:22 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3528540&group_id=40728 Please note that this message will contain a full copy of th

[OpenBabel-Devel] [ openbabel-Bugs-3528614 ] MCDL uninitialized memory error

2012-05-21 Thread SourceForge . net
Bugs item #3528614, was opened at 2012-05-21 08:40 Message generated for change (Tracker Item Submitted) made by cjames53 You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3528614&group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] Cis/trans lost from correct SDF?

2012-05-21 Thread Craig James
Hi, Version 2.3.x is declaring lots of double bonds to not be cis or trans that version 2.2.x thought were. In many cases 2.3.x is actually correct: the cis/trans spec in the bond block didn't match the 2D coordinates or was just plain wrong (for example, two "down" bonds on the same atom), so th