timvdm (Tim Vandermeersch)

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Name: Tim Vandermeersch

Email

Website/Blog: http://timvdm.blogspot.com

Location: Belgium

Member Since: Dec 21, 2008 (about 1 year)

Following 0 coders and watching 12 repositories view all →

Public Repositories (9)

- 2
- 1
Molsketch

Molsketch 2D molecular editor

Last updated Thu Dec 03 11:54:59 -0800 2009
- 1
- 1
openbabel-trunk

Last updated Thu Nov 19 06:32:42 -0800 2009
- 2
- 18
avogadro

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemist...

Forked from cryos/avogadro Sun Dec 28 11:49:25 -0800 2008

Last updated Thu Nov 05 10:18:27 -0800 2009
- 2
- 2
OBForceField

new set of force field classes for OpenBabel (very experimental)

Last updated Mon Nov 02 04:18:42 -0800 2009
- 1
- 1
ChemBrowser

A file manager for 2D/3D chemistry data.

Last updated Thu Sep 17 13:58:01 -0700 2009
- 4
- 3
openbabel

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

Forked from ghutchis/openbabel Sun Jan 04 17:02:33 -0800 2009

Last updated Mon Jun 29 14:57:49 -0700 2009
- 3
- 1
OBDepict

2D molecule depiction using openbabel and various image/graphics API's (currently ImageMagick++, ...

Last updated Sun May 17 15:27:48 -0700 2009
- 1
- 0
openbabel-eigen2

Last updated Sat Jan 17 18:09:53 -0800 2009
- 1
- 0
avogadro-scripts

avogadro python scripts

Last updated Tue Dec 23 19:33:33 -0800 2008

Public Activity

timvdm pushed to master at timvdm/Molsketch Thu Dec 03 11:55:00 -0800 2009

HEAD is 7df88690de9d14b5889fb67668a776c50756b441

Tim Vandermeersch committed 7df88690:

Fix includes in atom.h & bond.h

timvdm pushed to master at timvdm/Molsketch Thu Dec 03 05:15:06 -0800 2009

HEAD is f555b3b2a44283bf075c986365ff42f22c6afa9a

3 commits »

timvdm pushed to master at timvdm/Molsketch Tue Dec 01 15:00:40 -0800 2009

HEAD is 33d87d63b5d00441885077270ef13b5c2a200165

Tim Vandermeersch committed 33d87d63:

* Remove DrawWidget (replaced by QToolBar(s))

timvdm pushed to master at timvdm/Molsketch Tue Dec 01 12:38:33 -0800 2009

HEAD is 505a20e6a2e6bdaf98ccafd676127d321f61c8aa

Tim Vandermeersch committed 505a20e6:

Remove obsolete code from MolScene + further improve Tool class and subclasses

timvdm pushed to master at timvdm/Molsketch Mon Nov 30 15:19:50 -0800 2009

HEAD is e3074a2f41951e2914c404a31b537f63cbc97099

Tim Vandermeersch committed e3074a2f:

Add abstract Tool class and reimplement all tools as subclasses. Still need to remove code from MolScene

timvdm pushed to master at timvdm/Molsketch Thu Nov 26 12:34:34 -0800 2009

HEAD is 08577998057d73020f83cadb712af6becdfd3242

Tim Vandermeersch committed 08577998:

Several improvements to mechanism arrows

timvdm created a page in the timvdm/Molsketch wiki Tue Nov 24 13:35:40 -0800 2009

"TODO Carbon" is at timvdm/Molsketch/wikis/todo-carbon

timvdm pushed to master at timvdm/Molsketch Tue Nov 24 13:23:30 -0800 2009

HEAD is f27b526098bf5042788f99f447461ee815d670df

7 commits »

timvdm pushed to Razinger at timvdm/openbabel-trunk Thu Nov 19 06:32:42 -0800 2009

HEAD is e3f26b04c6412aa9b5858f5dfcf743d209fc5151

3 commits »

timvdm pushed to master at cryos/avogadro Thu Nov 05 10:18:55 -0800 2009

HEAD is 7604495220d404618731b0332dd6cda23f48baa3

5 commits »

timvdm pushed to master at timvdm/avogadro Thu Nov 05 10:18:27 -0800 2009

HEAD is 7604495220d404618731b0332dd6cda23f48baa3

8 commits »

Tim Vandermeersch committed 76044952:

Make sure "multi-indent" python commands get parsed correctly.
Tim Vandermeersch committed 1bba96ee:

Merge branch 'master' of git@github.com:cryos/avogadro
cryos committed 2eaabb25:

Merge commit 'annulen/master'
Konstantin Tokarev committed 21e49021:

Blocked old cartesian editor in propextension
Konstantin Tokarev committed 7f6cadf8:

Added Cartesian Editor to CMakeLists.txt
Konstantin Tokarev committed 0b7bbece:

Resource file for Cartesian Editor
Konstantin Tokarev committed b9820f8c:

Added icons for Cartesian Editor - copied form avogadro/src/icons
Konstantin Tokarev committed c15cb4d4:

Added extension "Cartesian Editor"

timvdm pushed to 1.0 at cryos/avogadro Tue Nov 03 06:07:15 -0800 2009

HEAD is 52514c9392871331caf39c10de28eda3d0476dcc

timvdm pushed to master at timvdm/OBForceField Mon Nov 02 04:18:43 -0800 2009

HEAD is 4e165525dc95cb26ac99260f235f14e8169c90b7

4 commits »

timvdm pushed to master at timvdm/OBForceField Mon Nov 02 04:08:38 -0800 2009

HEAD is 0dba359b53c6a7de75ce4a7bd96c777bf174204f

Tim Vandermeersch committed 0dba359b:

Implement MMFF94Type and port MMFF94 bond stratching term

timvdm pushed to 1.0 at cryos/avogadro Sat Oct 31 16:13:51 -0700 2009

HEAD is 9946d1f44a7f78ed73dc2fc8cc8906fcf9d54d20

11 commits »

Tim Vandermeersch committed 9946d1f4:

Set version to 1.0.1 (I accedently included cryos' bump to 1.1.0 commit before)
Tim Vandermeersch committed 36293a7b:

Merge branch 'master' of git://github.com/annulen/avogadro into 1.0
Tim Vandermeersch committed 74f6170f:

PythonTerminal: Handle Key_Home as a special case
Konstantin Tokarev committed 21e49021:

Blocked old cartesian editor in propextension
Konstantin Tokarev committed 7f6cadf8:

Added Cartesian Editor to CMakeLists.txt
Konstantin Tokarev committed 0b7bbece:

Resource file for Cartesian Editor
Konstantin Tokarev committed b9820f8c:

Added icons for Cartesian Editor - copied form avogadro/src/icons
Konstantin Tokarev committed c15cb4d4:

Added extension "Cartesian Editor"
cryos committed 52514c93:

Changed all deletes on the network reply to deleteLater() calls.
cryos committed 8ffdb4ff:

Fixed crash with Qt 4.5.3 - use deleteLater().
cryos committed 083e3355:

Bumped build files in master to 1.1.0 - development versions.

timvdm created branch 1.0 at timvdm/avogadro Sat Oct 31 16:13:35 -0700 2009

New branch is at timvdm/avogadro/tree/1.0

timvdm pushed to master at timvdm/avogadro Sat Oct 31 16:13:24 -0700 2009

HEAD is adf6a772823c7831e6eb83051dd09eb2e200fa9d

3 commits »

timvdm pushed to 1.0 at cryos/avogadro Fri Oct 30 01:53:33 -0700 2009

HEAD is edb43e20634ce8c9936634dcab78832e7e15643b

3 commits »

timvdm pushed to master at cryos/avogadro Thu Oct 29 14:05:58 -0700 2009

HEAD is 545f8b101eec04048aae60523605944a2b10c41e

Tim Vandermeersch committed 545f8b10:

Remove debug output

timvdm pushed to master at timvdm/avogadro Thu Oct 29 14:05:55 -0700 2009

HEAD is 545f8b101eec04048aae60523605944a2b10c41e

Tim Vandermeersch committed 545f8b10:

Remove debug output

timvdm pushed to master at cryos/avogadro Thu Oct 29 13:56:16 -0700 2009

HEAD is ae6391c79d3e035717125e0d40362ab644404480

Tim Vandermeersch committed ae6391c7:

PythonTerminal extension: Allow selections in the python terminal widget without allowing to edit (i.e. delete) already processed commands

timvdm pushed to master at timvdm/avogadro Thu Oct 29 13:56:11 -0700 2009

HEAD is ae6391c79d3e035717125e0d40362ab644404480

5 commits »

timvdm pushed to master at cryos/avogadro Thu Oct 29 12:45:04 -0700 2009

HEAD is 726037a15305af90f7f57e90e1f2f292fec9bcb4

2 commits »

timvdm pushed to master at timvdm/avogadro Thu Oct 29 12:26:55 -0700 2009

HEAD is e30c93484fa88ab2472179726fc02507fc622e2a

Tim Vandermeersch committed e30c9348:

Fix python bindings for Molecule::numConformers

timvdm pushed to master at timvdm/avogadro Fri Oct 23 11:40:26 -0700 2009

HEAD is 4952ae0d8d856918838a0ee883def8ccc386e2e4

16 commits »

cryos committed 4952ae0d:

Merge remote branch 'origin/master' into 1.0
cryos committed c934f1c4:

Merge remote branch 'ghutchis/master' into 1.0
ghutchis committed f15496aa:

Some changes for finding Gaussian. Works if your profile is set correctly.
ghutchis committed ba35a0c0:

Whoops, just removed computeButton.
ghutchis committed 5d3eb98b:

Temporarily remove the "Compute..." button for 1.0 release.
ghutchis committed d85bdf89:

Hide "Compute" button -- currently non-functional.
ghutchis committed f2bf0cc3:

Add support to find the g09 binary, if available.
ghutchis committed cc611d31:

Fix Mac compilation.
cryos committed 5463a91e:

Install the USE file into the versioned directory too - more flexible.
ghutchis committed eed00800:

Merge branch '1.0' of git@github.com:cryos/avogadro
cryos committed 5ed186b0:

Bumped SO version to 1 for the release.
ghutchis committed 0e5ca5a7:

Merge branch '1.0' of git@github.com:cryos/avogadro
cryos committed e6cc1a95:

Merge commit 'ghutchis/master' into 1.0
cryos committed 2c648a60:

Bumped the version number in preparation for the 1.0.0 release.
ghutchis committed bace10f1:

Merge branch 'master' of git@github.com:ghutchis/avogadro
Geoff Hutchison committed 08dce203:

Final import of translations before 1.0.

timvdm pushed to master at cryos/avogadro Fri Oct 23 10:19:23 -0700 2009

HEAD is 663ee6263b226a2f25045660e8f4a5430cc14967

Tim Vandermeersch committed 663ee626:

Add python wrapper for Atom::formalCharge/Atom::setFormalCharge

timvdm pushed to master at timvdm/avogadro Fri Oct 23 10:19:17 -0700 2009

HEAD is 663ee6263b226a2f25045660e8f4a5430cc14967

Tim Vandermeersch committed 663ee626:

Add python wrapper for Atom::formalCharge/Atom::setFormalCharge

timvdm pushed to master at cryos/avogadro Fri Oct 23 10:16:09 -0700 2009

HEAD is 479d377dc632920b5fd65dcbb24f31987a3b31f0

Tim Vandermeersch committed 479d377d:

Fix python wrapper for PluginManager

timvdm pushed to master at timvdm/avogadro Fri Oct 23 10:15:58 -0700 2009

HEAD is 479d377dc632920b5fd65dcbb24f31987a3b31f0

Tim Vandermeersch committed 479d377d:

Fix python wrapper for PluginManager

timvdm pushed to master at timvdm/avogadro Fri Oct 23 02:16:35 -0700 2009

HEAD is 45ba785aecf4941c5855b17a865a604649fbec7f

25 commits »

ghutchis committed 60726729:

Latest Launchpad Translations.
ghutchis committed a8acb755:

Switch out a missing "untitled" string.
ghutchis committed 38ea677a:

Merge branch 'master' of git@github.com:ghutchis/avogadro
Geoff Hutchison committed 45f28df5:

Updated POTs. Will merge Launchpad shortly.
Geoff Hutchison committed 8f692cb4:

Disable Dalton generation -- not enough time for translations.
ghutchis committed c8d90891:

Merge branch 'master' of git@github.com:ghutchis/avogadro
Geoff Hutchison committed dd3e93b5:

Comments for translators about QM selection and EFP selection.
Geoff Hutchison committed 111ba0cd:

Update disambiguation of "loop" translations suggested by Konstantin Tokarev.
ghutchis committed 093e11ac:

Merge branch 'master' of git@github.com:ghutchis/avogadro
Geoff Hutchison committed c931a22d:

Merge branch 'master' of git://github.com/Cyanat/avogadro
Geoff Hutchison committed a3a19cf1:

Modified patch from Patch PR#2799140.
Geoff Hutchison committed 93ebee1f:

Merge branch 'master' of git@github.com:cryos/avogadro
ghutchis committed b8b438d3:

Merge branch 'master' of git@github.com:cryos/avogadro
Cyanat committed e1491473:

Minor correction to Dalton Input File plugin.
Cyanat committed 3e62ab6b:

Added keyword "nosymm" when asking for excitation energies.
ghutchis committed 54b51f6e:

Merge branch 'master' of git@github.com:ghutchis/avogadro
Geoff Hutchison committed 8b178d8c:

Merge branch 'master' of git@github.com:cryos/avogadro
ghutchis committed cdd25d9d:

Merge branch 'master' of git@github.com:cryos/avogadro
Geoff Hutchison committed 01fa8669:

Merge branch 'master' of git@github.com:cryos/avogadro
Geoff Hutchison committed f74f9113:

Check for Boost 1.40 now.

And 5 more commits...

timvdm pushed to master at cryos/avogadro Mon Oct 19 14:41:59 -0700 2009

HEAD is ebbdaee2b1473a5125e3d384a7631d342e2657ae

Tim Vandermeersch committed ebbdaee2:

MainWindow: when opening a file, only create a new window if the current window is modified (isWindowModified).

timvdm pushed to master at timvdm/avogadro Mon Oct 19 14:41:52 -0700 2009

HEAD is ebbdaee2b1473a5125e3d384a7631d342e2657ae

Tim Vandermeersch committed ebbdaee2:

MainWindow: when opening a file, only create a new window if the current window is modified (isWindowModified).

timvdm pushed to master at cryos/avogadro Sun Oct 18 10:58:54 -0700 2009

HEAD is 5e465b0414d2c35337769288763544b3344ba9bc

2 commits »

timvdm pushed to master at timvdm/avogadro Sun Oct 18 10:58:50 -0700 2009

HEAD is 5e465b0414d2c35337769288763544b3344ba9bc

2 commits »

timvdm pushed to master at timvdm/avogadro Sun Oct 18 10:57:49 -0700 2009

HEAD is 22b95fde6ac326298ff514e07b58a97b6ca88539

Tim Vandermeersch committed 22b95fde:

WIN32: Don't attempt to create QM files on windows -- these should be copied from a linux build to avoid unicode problems with the translations [just place the QM files in avogadro/src and libavogadro/src] We could add the QM files to git but since there are only a handful of people building on windows, the downsides seem to outweigh the benefits. If not copied, Avogadro still build but will be untranslated.