baoilleach

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Member Since: Jan 09, 2009 (about 1 year)

Following 3 coders and watching 8 repositories view all →

Public Repositories (7)

- 2
- 2
openbabel-svn-mirror

Updated mirror of OpenBabel SVN repo

Last updated Tue Feb 09 22:09:09 -0800 2010
- 1
- 1
try-python

Michael Foord's interactive interpreter

Last updated Thu Dec 17 02:03:04 -0800 2009
- 9
- 2
twirlymol

A minimal molecular viewer written in Javascript

Last updated Thu Dec 10 03:52:16 -0800 2009
- 1
- 3
openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

Forked from timvdm/openbabel Sat Apr 11 06:11:55 -0700 2009

Last updated Mon Jun 29 01:48:30 -0700 2009
- 4
- 0
obunittest

A unit test suite for OpenBabel

Last updated Mon Apr 06 13:11:29 -0700 2009
- 1
- 0
obstereo-2-2-x

Last updated Mon Apr 06 01:21:32 -0700 2009
- 2
- 63
processing-js

A port of the Processing visualization language to JavaScript.

Forked from jeresig/processing-js Fri Jan 09 06:32:02 -0800 2009

Last updated Fri Jan 09 08:07:43 -0800 2009

Public Activity

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Tue Feb 09 22:09:10 -0800 2010

HEAD is f154cdb6eb2407c2667a5c25e7ee090981e13183

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Mon Feb 08 22:09:08 -0800 2010

HEAD is f2aa3351dd97be87e4b665522351ea0fcd50eb02

baoilleach committed f2aa3351:

2010-02-08 Noel O'Boyle

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Sun Feb 07 22:09:08 -0800 2010

HEAD is a4e3d0a0f6825960b115b82504b2b552efd4c901

baoilleach committed a4e3d0a0:

2010-02-07 Noel O'Boyle

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Sat Feb 06 22:09:14 -0800 2010

HEAD is d755103bdb441a1cce0ef5a865595d903d112ef1

baoilleach committed d755103b:

src/builder.cpp: IsSpiroAtom assumed that Ids were preserved on copying a molecule. Not true.

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Tue Feb 02 22:09:11 -0800 2010

HEAD is 999d3d11ac68fec9a81fb9b5c19967b3fa448d10

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Mon Feb 01 22:09:09 -0800 2010

HEAD is 6c3efc55c7377036ce26c8a8492986500a25c624

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Sat Jan 30 22:09:09 -0800 2010

HEAD is 93e196df62b33b816e319d54b6855624816f43be

chrismorl committed 93e196df:

Change include file logic for shared_ptr in GCC, as suggested by Konstantin Tokarev

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Fri Jan 29 22:09:08 -0800 2010

HEAD is 9bb916472af3648a38282af6bd9b5e0e3f6b33a5

chrismorl committed 9bb91647:

Correct fastsearchformat description which misled Noel.

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Tue Jan 26 22:09:14 -0800 2010

HEAD is 13509092a62e5ea25f8eb5e7ec2b6ebf22a1224b

chrismorl committed 13509092:

Added MNA format

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Mon Jan 25 22:09:15 -0800 2010

HEAD is bbbbddd5dd59e5178f341a17c60df82cfbe7afc7

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Sun Dec 20 22:09:08 -0800 2009

HEAD is d060b17d5bbb585e26a11015e800c2119a6ec9cc

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Thu Dec 17 02:05:11 -0800 2009

HEAD is e071d8b5a54c9acf7fae80ec4e89d00a640b4486

baoilleach committed e071d8b5:

2009-12-15 Noel O'Boyle
chrismorl committed 823e3105:

Improve the handling of dative bonds in Fastsearch.
baoilleach committed 9b232712:

2009-12-14 Noel O'Boyle
chrismorl committed 07b3cb8e:

Get description of any plugin class from commandline -L option of GUI.
mr_grieves committed 02e0d7d4:

Fixes to the VASP format reader.
ghutchis committed 53f9c865:

Don't build wxWidgets GUI on Mac -- there are strange build problems. (Apple/wxWidgets bug, not ours.)
timvdm committed 17cc1972:

Fix ghemcial vdw term (including analytical gradients)
chrismorl committed 617357e7:

Update CMake files for OBDepict and svgformat
chrismorl committed eb706f7e:

Fix rotational constants in GaussFormat and atom display in OBDepict
mr_grieves committed 1db7c2f0:

Add names to methods in generic.h
mr_grieves committed 742c7d26:

Make gulp format handle the conv output.
ghutchis committed 4c82f40a:

Temporarily disable SVGformat until I have time to debug the link errors with GCC on Mac.
chrismorl committed 8440a6eb:

Closer to compiling on gcc?
chrismorl committed 03ffcd2a:

Remove "OpenBabel Symmetry Classes" from sdf and cml output.
mr_grieves committed 4e2b2eb0:

Fixes to gulp format reader
chrismorl committed 93ea7543:

FastSearch: can simultaneously match aromatic and aliphatic atoms and bonds
chrismorl committed 49fda1ea:

Quadruple bond in smilesformat
chrismorl committed 7f3933ee:

Avoid leading separators with --append

baoilleach pushed to master at baoilleach/try-python Thu Dec 17 02:03:04 -0800 2009

HEAD is 1499046a98d57a370725c50fe1b982808c8f2878

baoilleach committed 1499046a:

More updates to tutorial

baoilleach pushed to master at baoilleach/try-python Wed Dec 16 05:09:22 -0800 2009

HEAD is 3c112d83675103add336df73b687a4b26cebdfe5

baoilleach committed 3c112d83:

Minor mod

baoilleach pushed to master at baoilleach/try-python Wed Dec 16 02:26:00 -0800 2009

HEAD is 15065f81794f39acb7c2deebc4eaaa10a75120b5

baoilleach committed 15065f81:

Ready to rock

baoilleach pushed to master at baoilleach/twirlymol Thu Dec 10 03:52:20 -0800 2009

HEAD is a7e9876a32a55b944978dc6441169b98c64782d7

baoilleach committed a7e9876a:

Add MIT license

baoilleach pushed to fade_b at baoilleach/twirlymol Mon Dec 07 11:59:35 -0800 2009

HEAD is fcf97b39eaa57a5f4931b80c648915fce88cb51e

baoilleach pushed to master at baoilleach/twirlymol Mon Dec 07 11:59:35 -0800 2009

HEAD is fcf97b39eaa57a5f4931b80c648915fce88cb51e

baoilleach pushed to fade_b at baoilleach/twirlymol Sat Dec 05 14:27:13 -0800 2009

HEAD is aa9311ca97b6fffebfa4440a3ae36fab0865efd4

baoilleach committed aa9311ca:

Tidy up fog

baoilleach created branch fade_b at baoilleach/twirlymol Fri Dec 04 03:27:53 -0800 2009

New branch is at baoilleach/twirlymol/tree/fade_b

baoilleach pushed to master at baoilleach/twirlymol Fri Dec 04 02:12:44 -0800 2009

HEAD is 31b39fb5cc0eb6a0fee588e2e4c68273873dce21

baoilleach committed 31b39fb5:

Couldn't set color of hydrogens

baoilleach pushed to fade at baoilleach/twirlymol Thu Dec 03 10:24:02 -0800 2009

HEAD is bbc28c443bb2710ae3f34458458e7a4a36100732

baoilleach committed bbc28c44:

Nice fog effect

baoilleach created branch fade at baoilleach/twirlymol Thu Dec 03 09:27:10 -0800 2009

New branch is at baoilleach/twirlymol/tree/fade

baoilleach pushed to master at baoilleach/twirlymol Thu Dec 03 09:08:52 -0800 2009

HEAD is 252e6abe8aa91878165488ce79a9709094ebec50

baoilleach committed 252e6abe:

Oops. The shadows were in the wrong place.

baoilleach pushed to master at baoilleach/twirlymol Wed Dec 02 03:21:01 -0800 2009

HEAD is 26311d3e803c713bd21dfaa4f9d8273bb001158c

baoilleach committed 26311d3e:

Use proper shading instead of drawing a small circle

baoilleach pushed to master at baoilleach/twirlymol Tue Dec 01 08:56:06 -0800 2009

HEAD is bd1a3a77d874508ac274659d3f215cab456bd463

baoilleach committed bd1a3a77:

Scale scroll wheel for IE and Opera

baoilleach pushed to master at baoilleach/twirlymol Tue Dec 01 03:50:28 -0800 2009

HEAD is 00cd60ede3fc028af1cbf98a5dcf61cf17b1607b

baoilleach committed 00cd60ed:

Correct minor error with mymousedown. Force Opera redraw.

baoilleach pushed to master at baoilleach/twirlymol Tue Dec 01 03:08:48 -0800 2009

HEAD is f72208a18ada023904d5a79ba9e74e5a24ab119b

baoilleach committed f72208a1:

Update to dojo 1.3.2

baoilleach pushed to master at baoilleach/try-python Sun Nov 29 14:13:17 -0800 2009

HEAD is 50eaf5c9e75e509cfb3deb63d3e5e68592151fa0

baoilleach committed 50eaf5c9:

Out with the old tutorial, and update the new

baoilleach pushed to vendor at baoilleach/openbabel-svn-mirror Wed Nov 25 07:18:07 -0800 2009

HEAD is c548c3762098f1db4a3d1f4ac691900ec439bf76

chrismorl committed c548c376:

Added svgdepict program and renamed nbabel as obabel.
chrismorl committed 02fa3c42:

New classes SVGPainter and SVGFormat for 2D depiction
chrismorl committed 42f6737a:

Add coordinates when expanding aliases. mdlformat writes alias form.
mr_grieves committed c5273085:

Added a format parser for the GULP package.
mr_grieves committed 417a9cd9:

Trivial change to copyright header.
chrismorl committed faf27538:

Converting a reaction to most molecule formats (not CML) outputs molecules
chrismorl committed 3404442c:

OBMol::Has3D easier to use; other precautionary and cosmetic mods
chrismorl committed 19d6a81c:

Minor build-related mods (Windows mainly)
mr_grieves committed 8a5527f2:

Fix compile error.
timvdm committed c3853697:

Fix tetrahedral stereocenter detection for cases where there are two duplicated symmetry classes not in a ring.
baoilleach committed 4bcd4067:

Add OBAPI
baoilleach committed 42236a23:

Correct error. Wrong method name.

baoilleach pushed to master at baoilleach/try-python Mon Nov 16 06:19:25 -0800 2009

HEAD is 0dbcc76a0dad50ecd0e3bb56da3f9dd8845ae8c9

baoilleach committed 0dbcc76a:

Minor mods for release

baoilleach pushed to master at baoilleach/try-python Mon Nov 16 05:45:58 -0800 2009

HEAD is 68b216f41c87736b5e6220671a7f3af4ca644e46

baoilleach pushed to master at baoilleach/try-python Mon Nov 16 04:11:26 -0800 2009

HEAD is f11de9bb6bbd04748d56d7e6e7f07b1da86876f3

baoilleach committed f11de9bb:

Moving tutorial files around

baoilleach pushed to master at baoilleach/try-python Mon Nov 16 03:59:40 -0800 2009

HEAD is 3e151743315f037a91d175825ca7d47f3428e8ef

baoilleach committed 3e151743:

Moving tutorial files around

baoilleach pushed to master at baoilleach/try-python Mon Nov 16 03:59:08 -0800 2009

HEAD is 1109b5859d51fba884d90191a3f8ba661198453b

baoilleach committed 1109b585:

Moving tutorial files around

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