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- 10:48, 5 June 2014 diff hist -98 Pka current
- 10:48, 5 June 2014 diff hist +98 Pka
- 21:14, 7 February 2014 diff hist +1,200 N Multimol2db2.py Created page with "'''multimol2db2.py''' This script is a utility program that takes as input a .mol2 file that has been protonated and all conformations have been generated with OMEGA (or alte..."
- 21:11, 22 October 2013 diff hist +35 m Dock3.7
- 17:16, 27 June 2013 diff hist +98 Pka
- 18:33, 26 June 2013 diff hist +407 N Chemdraw figure preparation Created page with "Chemdraw figures. First, kekulize your SMILES (remove aromatic groups). convert.py --i=prospective_tries.smiles --o=temp.smi --smioKekule Now, copy/paste each SMILES into ..."
- 20:37, 4 April 2013 diff hist -18 m Dock3.7
- 04:42, 28 March 2013 diff hist 0 m DOCK3.7 INDOCK
- 17:13, 27 March 2013 diff hist +4 m Dock3.7
- 17:12, 27 March 2013 diff hist +2,103 Dock3.7 dock 3.7 user manual step 1
- 16:40, 27 March 2013 diff hist +4,122 N Dock3.7 not done yet, will be DOCK3.7 manual
- 15:03, 27 March 2013 diff hist +1 m DOCK3.7 INDOCK
- 21:55, 26 March 2013 diff hist +4,731 N DOCK3.7 INDOCK DOCK3.7 indock file documentation.
- 17:17, 18 January 2013 diff hist -14 m GPCR Waiver Wire taking myself off the list, since it is ignored anyway.
- 23:37, 30 October 2012 diff hist +60 m Blaster Issues problem report from magdalena, low priority but things we should be aware of current
- 17:25, 12 October 2012 diff hist +19 m User:Rgc current
- 19:20, 18 September 2012 diff hist +115 Cluster Usage
- 19:35, 11 July 2012 diff hist -1 m Mol2db2 Format 2
- 18:09, 9 July 2012 diff hist +23 m Mol2db2 Format 2 another wishlist item
- 05:40, 7 July 2012 diff hist +76 Hit picking party added Nir's PAINS link
- 17:05, 26 March 2012 diff hist -16 m Visualizing delphi
- 18:06, 28 February 2012 diff hist -72 m Flexibase Format making documentation match reality
- 18:51, 14 February 2012 diff hist +30 N Mol2db Format 2 Mol2db Format 2 moved to Mol2db2 Format 2
- 18:51, 14 February 2012 diff hist 0 m Mol2db2 Format 2 Mol2db Format 2 moved to Mol2db2 Format 2
- 21:08, 13 February 2012 diff hist +11 m Qnifft DOCK 3.6 conversion
- 21:07, 13 February 2012 diff hist +60 m Enm explorer link to paper
- 16:56, 8 February 2012 diff hist +1 m Db2multipdb.py
- 16:56, 8 February 2012 diff hist +51 m Db2multipdb.py
- 01:00, 8 February 2012 diff hist +403 m Multimol2db.py added some tips to get this to work from Nir
- 23:34, 6 February 2012 diff hist -33 m Dock Ligand Clustering
- 23:34, 6 February 2012 diff hist +225 m Dock Ligand Clustering
- 18:51, 6 February 2012 diff hist +250 Multimol2db.py explaining how henry broke everything
- 18:50, 6 February 2012 diff hist +93 m Multimol2db.py
- 22:27, 3 February 2012 diff hist +403 Multimol2db.py
- 22:26, 3 February 2012 diff hist +38 N Multimol2db.py
- 22:26, 3 February 2012 diff hist +132 Dockenv Scripts →Utilities
- 19:26, 19 January 2012 diff hist +6 Flexibase Format
- 19:25, 19 January 2012 diff hist +608 Flexibase Format adding more info on colors
- 18:41, 17 January 2012 diff hist +1,940 Mol2db2 Format 2 adding f95 statements
- 20:17, 9 January 2012 diff hist +99 m Mol2db2 Format 2
- 18:38, 6 January 2012 diff hist +43 N Chemoinformatics Waiver Wire
- 20:34, 4 January 2012 diff hist +483 How to compile DOCK other problems found
- 17:17, 4 January 2012 diff hist +25 How to compile DOCK dock_base setup to compile
- 17:15, 4 January 2012 diff hist +2 m How to compile DOCK
- 17:15, 4 January 2012 diff hist +180 m How to compile DOCK
- 18:07, 22 December 2011 diff hist -15 m Qnifft DOCK 3.6 conversion
- 18:06, 22 December 2011 diff hist -15 m Qnifft DOCK 3.6 conversion
- 18:06, 22 December 2011 diff hist -7 DOCK 3.6
- 22:45, 20 December 2011 diff hist +270 CSD
- 23:13, 15 December 2011 diff hist +6 INDOCK for DOCK 3.6
- 23:13, 15 December 2011 diff hist +71 INDOCK for DOCK 3.6
- 22:29, 15 December 2011 diff hist +91 N GPCR Waiver Wire
- 22:03, 1 December 2011 diff hist +181 m Pka
- 20:13, 21 November 2011 diff hist +102 Qnifft DOCK 3.6 conversion
- 20:11, 21 November 2011 diff hist +33 m INDOCK for DOCK 3.6
- 20:09, 21 November 2011 diff hist -61 Qnifft DOCK 3.6 conversion
- 19:55, 21 November 2011 diff hist +27 DOCK 3.6
- 23:38, 14 November 2011 diff hist +19 m Dock Ligand Clustering
- 23:38, 14 November 2011 diff hist +19 m Qnifft DOCK 3.6 conversion
- 17:14, 14 November 2011 diff hist +97 m DOCK 3.6 →Qnifft
- 00:07, 12 November 2011 diff hist +5 Splitdb.py
- 00:06, 12 November 2011 diff hist +386 N Splitdb.py new page about splitdb.py
- 00:04, 12 November 2011 diff hist +117 Dockenv Scripts new code
- 17:15, 11 November 2011 diff hist +104 m MPose
- 21:06, 9 November 2011 diff hist +258 m Qnifft DOCK 3.6 conversion
- 21:04, 9 November 2011 diff hist +25 m Dock Ligand Clustering
- 23:39, 19 October 2011 diff hist +108 m INDOCK for DOCK 3.6
- 17:25, 19 October 2011 diff hist +458 m Qnifft DOCK 3.6 conversion compilation
- 17:23, 19 October 2011 diff hist +382 m Qnifft DOCK 3.6 conversion finished first draft?
- 00:54, 19 October 2011 diff hist +1,290 N Qnifft DOCK 3.6 conversion stopping for the night, first draft.
- 00:11, 19 October 2011 diff hist +265 m DOCK 3.6
- 22:40, 13 October 2011 diff hist +1,346 DOCK 3.6 restoring
- 18:09, 28 September 2011 diff hist +4 m Decoy Theory
- 22:28, 26 September 2011 diff hist +24 m Inspecting electron density maps
- 22:26, 26 September 2011 diff hist +4 m Decoy Theory
- 22:25, 26 September 2011 diff hist +11 m Delphi
- 22:18, 26 September 2011 diff hist -298 m Grid Based Score formatting
- 22:08, 26 September 2011 diff hist +57 Delphi electrostatics
- 22:07, 26 September 2011 diff hist +20 Decoys
- 22:05, 26 September 2011 diff hist +90 m Decoy Theory categories
- 22:03, 26 September 2011 diff hist +2,019 Decoy Theory a page trying to explain decoy theory
- 21:27, 26 September 2011 diff hist +13 m Decoy Theory
- 21:26, 26 September 2011 diff hist +62 m Decoy Theory
- 21:26, 26 September 2011 diff hist +28 m Decoy Theory new page outline
- 21:26, 26 September 2011 diff hist +120 Nm Decoy Theory new page outline
- 20:42, 23 September 2011 diff hist -1 m ZINC Database
- 20:42, 23 September 2011 diff hist -5 m ZINC Database
- 20:41, 23 September 2011 diff hist +19 m ZINC Database
- 20:29, 13 September 2011 diff hist 0 m INDOCK for DOCK 3.6
- 18:17, 12 September 2011 diff hist +11,020 N INDOCK for DOCK 3.6 try to document INDOCK file
- 21:06, 8 September 2011 diff hist +65 CSD
- 21:36, 5 September 2011 diff hist +119 m Travel Depth →Pocket Picking
- 23:02, 17 August 2011 diff hist +67 m Dock Ligand Clustering
- 21:42, 21 July 2011 diff hist +33 Dock Ligand Clustering
- 21:42, 21 July 2011 diff hist +1,575 N Dock Ligand Clustering first version
- 16:58, 23 June 2011 diff hist -56 CSD deleting password
- 17:52, 21 June 2011 diff hist +1 m ChEMBL errata
- 17:51, 21 June 2011 diff hist -4 m ChEMBL errata
- 17:51, 21 June 2011 diff hist +152 ChEMBL errata
- 17:43, 21 June 2011 diff hist -2 m ChEMBL errata
- 17:42, 21 June 2011 diff hist +114 N ChEMBL errata
- 17:03, 21 June 2011 diff hist 0 m Group Meeting
- 20:27, 20 June 2011 diff hist -1 m Group Meeting
- 21:50, 16 June 2011 diff hist +62 Pka
- 17:16, 13 June 2011 diff hist -2 m Reactive groups
- 00:17, 11 June 2011 diff hist +1 Reactive groups
- 00:17, 11 June 2011 diff hist +1 Reactive groups
- 00:17, 11 June 2011 diff hist +189 N Reactive groups
- 00:15, 11 June 2011 diff hist +47 m Hit picking party
- 23:40, 9 June 2011 diff hist +4 Hit picking party
- 23:39, 9 June 2011 diff hist +46 m Hit picking party
- 23:41, 8 June 2011 diff hist +8 Mol2db2 Format 2
- 17:34, 1 June 2011 diff hist +22 Group Meeting →Google Calendarise the Shoichet Group Meeting schedule: note skipping the 10th
- 20:06, 24 May 2011 diff hist +46 Mol2db2 Format 2
- 22:54, 23 May 2011 diff hist +28 m Mol2db2 Format 2 small edits
- 22:49, 23 May 2011 diff hist +5 m Mol2db2 Format 2 deleting ridiculously long set ids
- 21:00, 20 May 2011 diff hist +128 Mol2db2 Format 2
- 20:37, 20 May 2011 diff hist +55 Mol2db2 Format 2
- 20:31, 20 May 2011 diff hist +163 Mol2db2 Format 2 beginning of cluster stuff
- 01:10, 12 May 2011 diff hist +240 m DOCK 3
- 17:33, 3 May 2011 diff hist +9 Mol2db2 Format 2 zinc codes now 16 characters
- 02:13, 18 April 2011 diff hist +287 N Using molgrep to search ZINC
- 00:17, 15 April 2011 diff hist +47 CSD
- 20:36, 1 April 2011 diff hist +111 m Flexibase Format adding a note about id numbers, which magdalena "discovered"
- 00:08, 25 March 2011 diff hist -36 CSD
- 17:56, 10 February 2011 diff hist -22 Mol2db2 Format 2
- 17:36, 10 February 2011 diff hist -1,560 Mol2db2 Format 2 major edit, getting rid of mix-n-match and hierarchy
- 00:58, 20 January 2011 diff hist +55 Pka
- 06:16, 19 January 2011 diff hist +435 N Pka
- 23:30, 3 January 2011 diff hist +11 m Mol2db2 Format 2
- 23:21, 3 January 2011 diff hist +166 Mol2db2 Format 2 adding Peter Kolb's suggestion of arbitrary information container
- 18:52, 28 December 2010 diff hist +78 Mol2db2 Format 2
- 18:31, 28 December 2010 diff hist +12 Mol2db2 Format 2
- 18:30, 28 December 2010 diff hist +14 Mol2db2 Format 2
- 18:17, 28 December 2010 diff hist +98 Mol2db2 Format 2
- 18:14, 28 December 2010 diff hist +53 Mol2db2 Format 2
- 19:17, 6 December 2010 diff hist +4 Mol2db2 Format 2
- 19:17, 6 December 2010 diff hist +76 Mol2db2 Format 2
- 23:38, 23 November 2010 diff hist 0 m Mol2db2 Format 2
- 22:24, 23 November 2010 diff hist +127 Mol2db2 Format 2 adding more stuff to db2 file including dud energy placeholder
- 00:13, 30 October 2010 diff hist +162 Travel Depth
- 20:02, 27 October 2010 diff hist +270 Inspecting electron density maps
- 19:11, 27 October 2010 diff hist +3 Tutorials
- 19:11, 27 October 2010 diff hist +36 Tutorials
- 19:10, 27 October 2010 diff hist +25 Inspecting electron density maps
- 19:10, 27 October 2010 diff hist +494 N Inspecting electron density maps copied & pasted from email from oliv
- 16:28, 22 October 2010 diff hist +92 Tutorials
- 23:48, 21 October 2010 diff hist +46 Tutorials
- 23:34, 21 October 2010 diff hist +1 Tutorials
- 23:34, 21 October 2010 diff hist +30 N Shoichet Lab Users/pymol background Shoichet Lab Users/pymol background moved to Pymol background: not a subpage!
- 23:34, 21 October 2010 diff hist 0 m Pymol background Shoichet Lab Users/pymol background moved to Pymol background: not a subpage!
- 23:33, 21 October 2010 diff hist 0 Tutorials
- 23:33, 21 October 2010 diff hist +23 Tutorials
- 23:33, 21 October 2010 diff hist +24 Pymol background
- 20:20, 7 October 2010 diff hist +46 N Shoichet Lab Photos
- 17:43, 22 September 2010 diff hist +9 Cluster Usage
- 21:40, 15 September 2010 diff hist +377 Cluster Usage
- 21:22, 3 September 2010 diff hist +25 Mol2db2 Format 2 adding hydrogen set data
- 20:05, 31 August 2010 diff hist +4 Dock development
- 20:05, 31 August 2010 diff hist +16 Dock development
- 20:04, 31 August 2010 diff hist +528 N Dock development
- 18:12, 22 July 2010 diff hist +385 Flexible docking code
- 18:10, 22 July 2010 diff hist +204 N Flexible docking code temp
- 19:40, 19 July 2010 diff hist +50 Hit picking party →Before the party
- 19:40, 19 July 2010 diff hist -49 Hit picking party →During the party
- 17:48, 19 July 2010 diff hist +41 CSD
- 20:06, 18 July 2010 diff hist +49 Hit picking party →During the party
- 20:05, 18 July 2010 diff hist +17 N Csd Csd moved to CSD
- 20:05, 18 July 2010 diff hist 0 m CSD Csd moved to CSD
- 20:05, 18 July 2010 diff hist +202 N CSD
- 00:44, 24 June 2010 diff hist +7 m ROCS formatting
- 00:43, 24 June 2010 diff hist +25 m ROCS categorizing
- 00:43, 24 June 2010 diff hist +208 ROCS adding useful links
- 22:36, 23 June 2010 diff hist +176 Nm ROCS new page
- 22:35, 23 June 2010 diff hist +4 m Shape based methods adding link to rocs page
- 23:33, 16 June 2010 diff hist -9,171 m Cluster 3 Reverted edits by Dizik (Talk); changed back to last version by Suhaib
- 22:48, 15 June 2010 diff hist +197 N SciFinder new page about scifinder
- 18:00, 18 May 2010 diff hist -2 m Mol2db2 Format 2 stupid newline
- 17:34, 18 May 2010 diff hist +250 Mol2db2 Format 2 adding 2 more lines to the molecule entry
- 18:29, 13 May 2010 diff hist 0 m Mol2db2 Format 2 adding 3 missing columns to setid
- 23:37, 6 May 2010 diff hist +1 m DOCK Blaster:Prepare Input broken link
- 23:37, 6 May 2010 diff hist +1 m DOCK Blaster:Prepare Input link broken
- 21:01, 6 May 2010 diff hist +171 Cluster Usage adding some information. almost nothing here.
- 16:14, 6 May 2010 diff hist -79 m ZINC Database Reverted edits by Paola mybhaby (Talk); changed back to last version by Frodo
- 17:12, 22 April 2010 diff hist +60 m Mol2db2 Format 2 adding coord nums to conf output
- 17:05, 22 April 2010 diff hist +29 m Mol2db2 Format 2 adding coordinate number
- 21:23, 20 April 2010 diff hist +1,716 m Mol2db2 Format 2 adding fortran format lines
- 19:01, 20 April 2010 diff hist -16 m Mol2db2 Format 2 copy/paste typo
- 18:52, 20 April 2010 diff hist +83 m Mol2db2 Format 2 adding forgotten set lines
- 19:54, 19 April 2010 diff hist +1 m Mol2db2 Format 2 end line for end line
- 19:53, 19 April 2010 diff hist +28 m Mol2db2 Format 2 adding an end line
- 18:45, 19 April 2010 diff hist -7 m Mol2db2 Format 2 left justify color names
- 16:31, 19 April 2010 diff hist +18 m Mol2db2 Format 2 final bit about sets
- 02:49, 17 April 2010 diff hist +2 m Mol2db2 Format 2 not quite done
- 23:10, 16 April 2010 diff hist -3 m Mol2db2 Format 2 tiny edit
- 22:59, 16 April 2010 diff hist +1 m Mol2db2 Format 2 changing alignment of text fields
- 22:54, 16 April 2010 diff hist +70 m Mol2db2 Format 2 conf lines
- 22:28, 16 April 2010 diff hist +216 m Mol2db2 Format 2 even more python format lines
- 18:55, 16 April 2010 diff hist +57 m Mol2db2 Format 2 xyz python line
- 17:59, 16 April 2010 diff hist 0 m Mol2db2 Format 2 fixing python lines
- 17:58, 16 April 2010 diff hist 0 m Mol2db2 Format 2 editing things to make output sensible
- 17:52, 16 April 2010 diff hist +64 m Mol2db2 Format 2 atom line, including changes
- 17:50, 16 April 2010 diff hist +56 m Mol2db2 Format 2 adding to atom line
- 17:44, 16 April 2010 diff hist +44 m Mol2db2 Format 2 more lines
- 23:30, 15 April 2010 diff hist +36 m Mol2db2 Format 2 first molecule line
- 21:54, 15 April 2010 diff hist +79 m Mol2db2 Format 2 beginning to copy/paste format statements
- 21:44, 15 April 2010 diff hist +285 m Mol2db2 Format 2 implicit type lines
- 18:08, 15 April 2010 diff hist +94 m Mol2db2 Format 2 done for now
- 18:03, 15 April 2010 diff hist +137 m Mol2db2 Format 2 sets changed
- 17:58, 15 April 2010 diff hist +313 m Mol2db2 Format 2 stuck on sets
- 17:51, 15 April 2010 diff hist +195 m Mol2db2 Format 2 more
- 17:47, 15 April 2010 diff hist +88 m Mol2db2 Format 2 atoms and bonds
- 17:41, 15 April 2010 diff hist +141 m Mol2db2 Format 2 working through columns
- 17:11, 15 April 2010 diff hist +307 m Mol2db2 Format 2 column work
- 16:51, 15 April 2010 diff hist +126 m Mol2db2 Format 2 lots more things necessary to read in easily in fortran
- 16:47, 15 April 2010 diff hist +77 m Mol2db2 Format 2 reworking file format
- 00:36, 15 April 2010 diff hist +520 Mol2db2 Format 2 preliminary file format
- 20:31, 6 April 2010 diff hist +18 m Mol2db2 Format 2 mmm's suggestion
- 17:09, 5 April 2010 diff hist +18 m Visualizing delphi more categories
- 17:08, 5 April 2010 diff hist +25 m Visualizing delphi adding categories
- 23:12, 2 April 2010 diff hist -49 m DUMM6 →Slides: removing duplicates
- 21:37, 2 April 2010 diff hist +9 m DUMM6 →Slides: fixing error
- 16:19, 2 April 2010 diff hist +35 m DUMM6 formatting
- 16:18, 2 April 2010 diff hist +161 m DUMM6 update
- 00:05, 2 April 2010 diff hist +899 DUMM6 adding slides
- 16:29, 1 April 2010 diff hist +11 m Visualizing delphi cutesy tagging
- 15:52, 1 April 2010 diff hist +1 m Visualizing delphi fixing
- 15:51, 1 April 2010 diff hist 0 m Visualizing delphi fixing
- 15:51, 1 April 2010 diff hist 0 m Visualizing delphi changing image name
- 15:50, 1 April 2010 diff hist +55 m Visualizing delphi thumbnail images
- 15:47, 1 April 2010 diff hist +193 Visualizing delphi final note, anthropomorphizing the scoring function
- 15:45, 1 April 2010 diff hist +898 Visualizing delphi updating page with screenshots
- 22:04, 31 March 2010 diff hist +126 m Mol2db2 Format 2 peter kolb's suggestions
- 21:31, 31 March 2010 diff hist 0 m Mol2db2 Format 2 Flexibase Format 2 moved to Mol2db Format 2: name change, not sure why we use flexibase
- 21:31, 31 March 2010 diff hist +29 N Flexibase Format 2 Flexibase Format 2 moved to Mol2db Format 2: name change, not sure why we use flexibase
- 21:27, 31 March 2010 diff hist +84 m Mol2db2 Format 2 update to match online with notebook
- 17:20, 31 March 2010 diff hist +10 m Dock Users' Meeting Minutes (DUMM) update date
- 19:00, 30 March 2010 diff hist -4 m Visualizing delphi formatting
- 19:00, 30 March 2010 diff hist 0 m Visualizing delphi numbers
- 18:59, 30 March 2010 diff hist +144 m Visualizing delphi beginning of outline
- 18:58, 30 March 2010 diff hist +4 m Visualizing delphi new page, i'll finish this eventually
- 18:58, 30 March 2010 diff hist +120 N Visualizing delphi new page, i'll finish this eventually
- 18:57, 30 March 2010 diff hist +110 Delphi adding a link to a visualization of delphi tutorial
- 20:51, 29 March 2010 diff hist +80 m Travel Depth →Ligand Volume/Surface Area: explanation of environment setup
- 17:58, 29 March 2010 diff hist +2 m Travel Depth moving toc
- 17:58, 29 March 2010 diff hist +27 m Travel Depth →Ligand Volume/Surface Area
- 16:42, 29 March 2010 diff hist +271 Travel Depth →Ligand Volume/Surface Area: bondi radii description
- 16:40, 29 March 2010 diff hist +14 m Travel Depth adding toc
- 16:38, 29 March 2010 diff hist +674 Travel Depth adding ligand volume description
- 16:35, 29 March 2010 diff hist +23 m Travel Depth adding headings
- 00:47, 26 March 2010 diff hist +53 Nm MODBASE adding a link to modbase
- 22:52, 19 March 2010 diff hist 0 m DUMM6 formatting
- 22:50, 19 March 2010 diff hist +18 m Dock Users' Meeting Minutes (DUMM)
- 22:49, 19 March 2010 diff hist +287 N DUMM6 making a page for the next as yet unscheduled DUMM meeting
- 22:43, 18 March 2010 diff hist +19 m Tutorials categorizing
- 22:42, 18 March 2010 diff hist +45 m Travel Depth categorizing
- 17:55, 18 March 2010 diff hist -1 m Travel Depth formatting
- 17:55, 18 March 2010 diff hist +14 m Travel Depth formatting
- 17:54, 18 March 2010 diff hist +1 m Travel Depth formatting sucks
- 17:48, 18 March 2010 diff hist +63 m Travel Depth adding tstconvexhull explanation
- 21:58, 17 March 2010 diff hist +54 2D to 3D adding a 3d molecule generation tool that i saw in literature
- 17:09, 17 March 2010 diff hist -42 m DOCK Overview formatting
- 01:40, 17 March 2010 diff hist -9 m Vdw.defn formatting
- 01:38, 17 March 2010 diff hist +4 m Travel Depth formatting
- 01:20, 17 March 2010 diff hist +8 m Travel Depth formatting
- 01:20, 17 March 2010 diff hist +2,877 N Travel Depth adding a page about the travel depth code from the sharp lab
- 01:58, 16 March 2010 diff hist -111 m Flex drive.tbl formatting
- 01:56, 16 March 2010 diff hist -57 m FAQ:mmolex formatting
- 22:08, 15 March 2010 diff hist -16 m Showbox fixing formatting
- 22:06, 15 March 2010 diff hist -56 m Parameter Parser formatting fixups
- 22:01, 15 March 2010 diff hist +1 m Sphere Matching fixing formatting
- 22:01, 15 March 2010 diff hist -32 m Sphere Matching fixing formatting
- 18:50, 5 March 2010 diff hist +22 Db2multipdb.py i guess this is a tutorial now
- 18:46, 5 March 2010 diff hist +21 Tutorials adding db2multipdb.py decoder ring to tutorials page
- 18:56, 3 March 2010 diff hist +1 Flexibase Format correcting documentation since partial charges are actually multiplied by 10000 not 1000.
- 22:31, 28 February 2010 diff hist +36 DOCK:Problems →DOCK 3.5.54
- 19:00, 16 February 2010 diff hist +36 m DOCK:Problems →DOCK 3.5.54
- 19:33, 20 January 2010 diff hist +154 m Flexibase Format adding note about the column spacing being wrong
- 19:23, 20 January 2010 diff hist 0 m Flexibase Format
- 19:20, 20 January 2010 diff hist -116 Flexibase Format fixing carriage returns
- 02:07, 7 January 2010 diff hist +139 Mol2db clarifying mol2db changes
- 23:14, 10 December 2009 diff hist +307 m Db2multipdb.py explaining error precedence
- 23:10, 10 December 2009 diff hist +22 m Db2multipdb.py
- 23:05, 10 December 2009 diff hist +24 m Db2multipdb.py changing formatting
- 23:05, 10 December 2009 diff hist +610 Db2multipdb.py talking about pdb file output
- 23:01, 10 December 2009 diff hist +5 m Db2multipdb.py
- 23:00, 10 December 2009 diff hist 0 m Db2multipdb.py
- 23:00, 10 December 2009 diff hist +13 m Db2multipdb.py link to author page
- 22:59, 10 December 2009 diff hist +1,148 Db2multipdb.py full description of program
- 22:47, 10 December 2009 diff hist +63 m Db2multipdb.py script location
- 22:47, 10 December 2009 diff hist 0 m Db2multipdb.py link to flexibase page
- 22:46, 10 December 2009 diff hist +21 m Db2multipdb.py link to flexibase page
- 22:45, 10 December 2009 diff hist -9 Db2multipdb.py new file describing db2multipdb.py
- 22:45, 10 December 2009 diff hist +466 N Db2multipdb.py new file describing db2multipdb.py
- 22:42, 10 December 2009 diff hist +73 Mol2db adding link to new decoder tool
- 20:04, 9 December 2009 diff hist +354 Mol2db explaining distance tolerance
- 22:12, 30 November 2009 diff hist +368 N Mol2db2 Format 2 new page about wishlist of features for mol2db/dock flexibase format
- 21:28, 24 November 2009 diff hist +48 Mol2db changing to reflect new bugfix
- 17:12, 18 November 2009 diff hist +107 Mol2db adding fix to multiple atom checks per level.
- 20:11, 17 November 2009 diff hist -204 PBSA Score hopefully formatting this page correctly
- 20:05, 17 November 2009 diff hist +4 m Mol2db making links correct
- 20:05, 17 November 2009 diff hist 0 m Mol2db
- 19:01, 17 November 2009 diff hist +321 Mol2db saving realization about source of bugs in confhier.c
- 03:23, 17 November 2009 diff hist +55 Mol2db
- 02:38, 17 November 2009 diff hist -3 Mol2db ordered lists
- 02:35, 17 November 2009 diff hist +333 Mol2db better description
- 02:30, 17 November 2009 diff hist +150 Mol2db describing algorithm in hiergen.
- 00:47, 14 November 2009 diff hist +117 Mol2db hiergen.c update
- 22:21, 13 November 2009 diff hist +57 m Mol2db
- 17:22, 13 November 2009 diff hist +89 m Mol2db clarification of purpose
- 17:22, 13 November 2009 diff hist +191 N Mol2db initial mol2db page
- 22:54, 10 November 2009 diff hist +58 Flexibase Format calling the conformation tree output order infix, helpful word to google for more info.
- 01:55, 10 November 2009 diff hist +173 Mol2 adding presumptions about multimol2 formatting
- 01:37, 10 November 2009 diff hist -12 Mol2 removing whitespace from beginning of lines
- 01:30, 10 November 2009 diff hist -11 Flexibase Format fixing example file spacing
- 01:29, 10 November 2009 diff hist +601 Flexibase Format adding some descriptions as to how the atom coordinates/conformations are stored
- 01:19, 10 November 2009 diff hist -21 Flexibase Format removing whitespace from beginning of lines
- 01:18, 10 November 2009 diff hist +27 Flexibase Format changing code block to be a code block, adding details about atom coordinates