[OpenBabel-Devel] [ openbabel-Bugs-3452445 ] fillUC creates duplicate atoms

2011-12-06 Thread SourceForge . net
Bugs item #3452445, was opened at 2011-12-06 06:38 Message generated for change (Tracker Item Submitted) made by coudert You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3452445&group_id=40728 Please note that this message will contain a full copy of the c

[OpenBabel-Devel] [ openbabel-Patches-3452482 ] Fix fillUC

2011-12-06 Thread SourceForge . net
Patches item #3452482, was opened at 2011-12-06 07:22 Message generated for change (Tracker Item Submitted) made by coudert You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428742&aid=3452482&group_id=40728 Please note that this message will contain a full copy of th

[OpenBabel-Devel] [ openbabel-Patches-3452697 ] fillUC: Wrap atoms in unit cell with some fuzziness

2011-12-06 Thread SourceForge . net
Patches item #3452697, was opened at 2011-12-06 11:38 Message generated for change (Tracker Item Submitted) made by coudert You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428742&aid=3452697&group_id=40728 Please note that this message will contain a full copy of th

[OpenBabel-Devel] Simplying (and fixing) bindings

2011-12-06 Thread Noel O'Boyle
Hi there, I eat my words, Marcus - you were right. We should have been using the CMake build system for the bindings, rather than using distutils for Python, something else for Ruby, and so forth. There were various reasons we (or I rather) took that decision, but they are overwhelmed now by the m