User contributions
(newest | oldest) View (newer 50 | older 50) (20 | 50 | 100 | 250 | 500)
- 00:56, 21 April 2009 (diff | hist) . . (+81) . . Related Projects
- 10:06, 16 March 2009 (diff | hist) . . (+94) . . Related Projects
- 12:32, 28 January 2009 (diff | hist) . . (+122) . . m Related Projects
- 15:14, 9 January 2009 (diff | hist) . . (+47) . . m Open Babel 2.2.0 (current)
- 05:54, 29 December 2008 (diff | hist) . . (+47) . . Related Projects
- 07:50, 24 November 2008 (diff | hist) . . (+156) . . m Related Projects
- 07:49, 30 August 2008 (diff | hist) . . (+38) . . m Atom Indexing (current)
- 08:44, 25 August 2008 (diff | hist) . . (+317) . . N Atom Indexing (New page: In previous versions of Open Babel, atoms were indexed starting at 1, not 0. Since most C/C++ code indexes arrays from 0, this requires considerable work internally, not to mention some co...)
- 08:40, 25 August 2008 (diff | hist) . . (+43) . . m Version 3.0 Projects
- 08:36, 25 August 2008 (diff | hist) . . (+80) . . Version 3.0 Design (current)
- 08:35, 25 August 2008 (diff | hist) . . (+1,343) . . N Code Standards (New page: Several important goals have been adopted for version 3.0: # Headers must use forward declarations. For example, if you use OBAtom, you should #include <openbabel/atom.h> not mol.h. # De...) (current)
- 08:26, 25 August 2008 (diff | hist) . . (+1,979) . . N Plugins (New page: Image:Design3plugin.png All plugins inherit from OBPlugin, this class has public GetType(), GetName() and GetDescription() methods and a protected SetInfo() method which can be called...) (current)
- 08:25, 25 August 2008 (diff | hist) . . (-1,853) . . Version 3.0 Projects
- 19:31, 22 August 2008 (diff | hist) . . (-278) . . m Version 3.0 Projects
- 09:04, 7 July 2008 (diff | hist) . . (+16) . . m THANKS (Forgot Izhar's many fixes.)
- 05:58, 4 July 2008 (diff | hist) . . (+102) . . m Main Page (Added 2.2.0 announcement. Need to trim the news sometime...)
- 05:57, 4 July 2008 (diff | hist) . . (+19) . . Category:Installation (Added Mac installer)
- 14:04, 3 July 2008 (diff | hist) . . (+42) . . Category:Releases
- 14:03, 3 July 2008 (diff | hist) . . (+19) . . Open Babel 2.2.0
- 08:24, 3 July 2008 (diff | hist) . . (+2,117) . . N Obgen (New page: ==Name== '''obgen''' -- generate 3D coordinates for a molecule ==Synopsis== '''obgen''' ''filename'' ==Description== The obgen tool will generate 3D coordinates for molecules in a fi...) (current)
- 08:20, 3 July 2008 (diff | hist) . . (+92) . . Category:Guides (current)
- 08:19, 3 July 2008 (diff | hist) . . (0) . . Obconformer (current)
- 08:18, 3 July 2008 (diff | hist) . . (+1,715) . . N Obconformer (New page: ==Name== '''obconformer''' -- generate low-energy conformers ==Synopsis== '''obconformer''' '''# of test conformers''' '''# of optimization steps''' ''filename'' ==Description== The o...)
- 08:13, 3 July 2008 (diff | hist) . . (-12) . . Obrotamer (current)
- 08:13, 3 July 2008 (diff | hist) . . (-11) . . Obenergy
- 08:13, 3 July 2008 (diff | hist) . . (-11) . . Obminimize (current)
- 08:10, 3 July 2008 (diff | hist) . . (+32) . . N MMFF94 (Redirecting to OBForceFieldMMFF94) (current)
- 08:10, 3 July 2008 (diff | hist) . . (-12) . . Obrotate (current)
- 08:09, 3 July 2008 (diff | hist) . . (-12) . . Obprop (current)
- 08:09, 3 July 2008 (diff | hist) . . (-12) . . Obfit (current)
- 08:09, 3 July 2008 (diff | hist) . . (-12) . . Obchiral (current)
- 08:09, 3 July 2008 (diff | hist) . . (-24) . . Babel
- 08:08, 3 July 2008 (diff | hist) . . (-12) . . Obgrep (current)
- 08:07, 3 July 2008 (diff | hist) . . (+2,316) . . N Obprobe (New page: ==Name== '''obprobe''' -- create electrostatic probe grid ==Synopsis== '''obprobe''' [''OPTIONS''] '''atom type''' '''partial charge''' ''filename'' ==Description== The obprobe tool c...)
- 05:05, 3 July 2008 (diff | hist) . . (+72) . . m Open Babel 2.2.0 (Add CMake build information)
- 14:37, 2 July 2008 (diff | hist) . . (+125) . . Related Projects
- 13:06, 2 July 2008 (diff | hist) . . (0) . . m Main Page
- 13:04, 2 July 2008 (diff | hist) . . (+284) . . N ADF Output (New page: {{Format| |extensions=adfout |mime= |url=http://www.scm.com/ |import=Yes, One record per input file |export=No |version=2.2 and later |dimensionality=3D |options = <pre> Read Options e.g. ...) (current)
- 13:04, 2 July 2008 (diff | hist) . . (+326) . . N ADF Input (New page: {{Format| |extensions=adf |mime= |url=http://www.scm.com/Doc/Doc2007.01/ADF/ADFUsersGuide/page32.html |import=No |export=Yes, One record per output file |version=2.2 and later |dimensional...)
- 13:04, 2 July 2008 (diff | hist) . . (+416) . . N Chemkin (New page: {{Format| |extensions=ck |mime= |url=Unknown |import=Yes |export=Yes |version=2.2 and later |dimensionality=3D |options = <pre> Input Options e.g. -ai f <file> File with standard thermo da...) (current)
- 13:03, 2 July 2008 (diff | hist) . . (+85) . . Gaussian Cube (current)
- 13:03, 2 July 2008 (diff | hist) . . (+269) . . N Gaussian Cube (New page: {{Format| |extensions=cub, cube |mime= |url=http://www.gaussian.com/g_ur/u_cubegen.htm |import=Yes |export=Yes |version=2.2 and later |dimensionality=3D |options = <pre> ReadOnly. Read Opt...)
- 13:02, 2 July 2008 (diff | hist) . . (+391) . . N OpenDX grid (New page: {{Format| |extensions=dx |mime= |url=http://apbs.sourceforge.net/doc/user-guide/index.html#id504516 |import=Yes, One record per input file |export=Yes, One record per output file |version=...) (current)
- 13:02, 2 July 2008 (diff | hist) . . (+205) . . N GAMESS UK Input (New page: {{Format| |extensions=gukin |mime= |url=http://www.cfs.dl.ac.uk |import=Yes, One record per input file |export=Yes |version=2.2 and later |dimensionality=3D |options = <pre> </pre> }} [[C...) (current)
- 13:01, 2 July 2008 (diff | hist) . . (+179) . . N GAMESS UK Output (New page: {{Format| |extensions=gukout |mime= |url=http://www.cfs.dl.ac.uk |import=Yes |export=Yes |version=2.2 and later |dimensionality=3D |options = <pre> </pre> }} Category:Formats) (current)
- 13:01, 2 July 2008 (diff | hist) . . (+400) . . N Gaussian Z-matrix Input (New page: {{Format| |extensions=gzmat |mime= |url=http://www.gaussian.com/ |import=Yes |export=Yes |version=2.2 and later |dimensionality=3D |options = <pre> Read Options e.g. -as s Output single...) (current)
- 13:01, 2 July 2008 (diff | hist) . . (+397) . . N MCDL (New page: {{Format| |extensions=mcdl |mime= |url=http://pubs.acs.org/cgi-bin/abstract.cgi/jcisd8/2001/41/i06/abs/ci000108y.h tml |import=Yes |export=Yes |version=2.2 and later |dimensionality=3D |op...) (current)
- 13:00, 2 July 2008 (diff | hist) . . (+176) . . N MmCIF (New page: {{Format| |extensions=mcif |mime= |url=http://mmcif.pdb.org/ |import=Yes |export=Yes |version=2.2 and later |dimensionality=3D |options = <pre> </pre> }} Category:Formats) (current)
- 13:00, 2 July 2008 (diff | hist) . . (+297) . . N Molden (New page: {{Format| |extensions=molden |mime= |url=http://www.cmbi.ru.nl/molden/molden_format.html |import=Yes, One record per input file |export=No |version=2.2 and later |dimensionality=3D |option...) (current)
- 13:00, 2 July 2008 (diff | hist) . . (+227) . . Nm Accelrys MSI text (New page: {{Format| |extensions=msi |mime= |url=http://openbabel.sourceforge.net/wiki/MSI_format |import=Yes, One record per input file |export=No |version=2.2 and later |dimensionality=3D |options ...) (current)
(newest | oldest) View (newer 50 | older 50) (20 | 50 | 100 | 250 | 500)
