Home / Develop /

Noel O'Boyle

What's happening?

Open Babel

baoilleach committed revision 4768 to the Open Babel SVN repository, changing 1 files.

2012-05-29 05:41:12 PDT in Open Babel
Comment: MCDL uninitialized memory error

Fixed in r4765.

2012-05-24 12:37:51 PDT in Open Babel
Open Babel

baoilleach committed revision 4765 to the Open Babel SVN repository, changing 1 files.

2012-05-24 12:36:56 PDT in Open Babel
Comment: MCDL uninitialized memory error

Sergey has already emailed me the fix. I'll check it in as soon as possible and close the bug.

2012-05-22 02:30:20 PDT in Open Babel
Stereo due to isotopes not supported

C:\Users\Noel>obabel -:[C@@]([H])([2H])(F)Cl -osmi C([2H])(F)Cl C:\Users\Noel>obabel -:[C@@](Br)(F)([36Cl])Cl -osmi C(Br)(F)([36Cl])Cl.

2012-05-21 02:22:36 PDT in Open Babel
Comment: Handling two stereobonds at a tet center

Now fixed.

2012-05-20 11:53:13 PDT in Open Babel
Open Babel

baoilleach committed revision 4762 to the Open Babel SVN repository, changing 2 files.

2012-05-18 09:16:37 PDT in Open Babel
Open Babel

baoilleach committed revision 4761 to the Open Babel SVN repository, changing 1 files.

2012-05-18 06:45:06 PDT in Open Babel
Open Babel

baoilleach committed revision 4760 to the Open Babel SVN repository, changing 2 files.

2012-05-18 06:36:39 PDT in Open Babel
Open Babel

baoilleach committed revision 4759 to the Open Babel SVN repository, changing 2 files.

2012-05-17 13:02:38 PDT in Open Babel

Send me a message