Re: [OpenBabel-Devel] OpenBabel MMFF94 validation set.

2012-07-05 Thread ovalerio
Hi Tim, Thanks for all the insights that you share with me in your last email. It has been of great help. On 02.07.2012 21:58, Tim Vandermeersch wrote: > This is in accordance with what I said above. However if you really > want to improve performance a better approach would be to implement > cu

[OpenBabel-Devel] [ openbabel-Bugs-3540439 ] error in comparison of two strings in getAtomicNumber

2012-07-05 Thread SourceForge . net
Bugs item #3540439, was opened at 2012-07-05 04:42 Message generated for change (Tracker Item Submitted) made by joclerc You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3540439&group_id=40728 Please note that this message will contain a full copy of the c

[OpenBabel-Devel] [ openbabel-Bugs-3540410 ] error in comparison of two strings in getAtomicNumber

2012-07-05 Thread SourceForge . net
Bugs item #3540410, was opened at 2012-07-05 03:00 Message generated for change (Tracker Item Submitted) made by joclerc You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3540410&group_id=40728 Please note that this message will contain a full copy of the c