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- 21:44, 10 May 2012 diff hist 0 m Preparing the protein switch to solvmap_sev
- 21:42, 10 May 2012 diff hist +8 m Preparing the protein change solvmap to newsolv.sev in 2 places
- 20:52, 15 March 2012 diff hist 0 m ZINC processing pipeline Adjust current ring puckering settings
- 23:39, 25 January 2012 diff hist +4 Preparing the protein →Running <tt>[[solvmap]]</tt>
- 20:45, 26 October 2011 diff hist 0 m INDOCK for DOCK 3.6 change file date to match sphere change
- 20:41, 26 October 2011 diff hist 0 INDOCK for DOCK 3.6 change match3 to match2
- 01:43, 17 October 2011 diff hist +79 m INDOCK for DOCK 3.6 note that remove_positive_solvation will be removed
- 23:58, 20 September 2011 diff hist +4 Running DOCK →Running DOCK
- 23:57, 20 September 2011 diff hist -414 Preparing the protein Remove distmap references, add prot2crg.py
- 06:06, 8 June 2011 diff hist +33 m Preparing the protein
- 06:02, 8 June 2011 diff hist +37 Preparing the protein →Modifying the spheres
- 03:47, 28 May 2011 diff hist +27 Analysing the results →Atomic contributions to the desolvation
- 03:46, 28 May 2011 diff hist -1 m Analysing the results →Atomic contributions to the coulombic energy
- 03:46, 28 May 2011 diff hist +741 Analysing the results Update to the modern way to scoreopt
- 21:43, 18 March 2011 diff hist +38 Chembl2pdb →GENERATION PROCEDURE
- 21:42, 18 March 2011 diff hist -18 Chembl2pdb →GENERATION PROCEDURE
- 21:41, 18 March 2011 diff hist 0 Chembl2pdb →GENERATION PROCEDURE
- 21:41, 18 March 2011 diff hist +2 Chembl2pdb →GENERATION PROCEDURE
- 21:41, 18 March 2011 diff hist -2,201 Chembl2pdb New simplified generation procedure
- 00:39, 13 January 2010 diff hist +4 m MUD - Michael's Utilities for Docking →Computing Enrichments
- 00:37, 13 January 2010 diff hist +160 LogAUC
- 00:32, 13 January 2010 diff hist +1,951 LogAUC
- 00:15, 13 January 2010 diff hist +1,261 LogAUC
- 00:00, 13 January 2010 diff hist +254 LogAUC
- 23:41, 12 January 2010 diff hist +641 N LogAUC
- 22:56, 12 January 2010 diff hist +63 How To Guides
- 02:56, 5 December 2009 diff hist +2 Running DOCK →Running DOCK
- 02:56, 5 December 2009 diff hist +7 Running DOCK →Running DOCK
- 02:55, 5 December 2009 diff hist +24 Running DOCK
- 02:55, 5 December 2009 diff hist +23 Preparing the ligand
- 02:54, 5 December 2009 diff hist +23 Analysing the results
- 02:54, 5 December 2009 diff hist +23 Preparing the protein
- 02:53, 5 December 2009 diff hist -1 m Analysing the results →Getting individual atom contributions with scoreopt_so
- 02:52, 5 December 2009 diff hist +101 Analysing the results →Some analyses that can be performed
- 02:50, 5 December 2009 diff hist +4 Analysing the results →Getting individual atom contributions with scoreopt_so
- 02:50, 5 December 2009 diff hist +12 m Analysing the results
- 02:49, 5 December 2009 diff hist +603 Analysing the results →Getting individual atom contributions with scoreopt_so
- 02:39, 5 December 2009 diff hist -167 Analysing the results →Obtaining the net charge of a docked molecule
- 02:37, 5 December 2009 diff hist +3 m Analysing the results →Combining the results of all subdirectories
- 02:36, 5 December 2009 diff hist -4 m Analysing the results →Combining the results of all subdirectories
- 02:36, 5 December 2009 diff hist -95 Analysing the results →Combining the results of all subdirectories
- 02:28, 5 December 2009 diff hist +25 Running DOCK →Running DOCK
- 01:59, 5 December 2009 diff hist +174 MUD - Michael's Utilities for Docking
- 01:58, 5 December 2009 diff hist +23 SGE Cluster Docking
- 01:54, 5 December 2009 diff hist +31 SGE Cluster Docking Update to modern workflow
- 01:44, 5 December 2009 diff hist +1,721 MUD - Michael's Utilities for Docking Add energy histogram programs
- 01:19, 5 December 2009 diff hist +159 m How to compile DOCK
- 01:14, 5 December 2009 diff hist -236 How to compile DOCK Change to subversion
- 21:15, 25 September 2009 diff hist 0 SGE Cluster Docking →Typical Docking Workflow
- 00:30, 28 August 2009 diff hist +30 m How to compile DOCK bugfix
- 00:27, 28 August 2009 diff hist -133 How to compile DOCK Adapt to newer dock Makefile
- 23:29, 27 August 2009 diff hist +13 How to compile DOCK
- 00:05, 8 July 2009 diff hist -6 MUD - Michael's Utilities for Docking
- 19:01, 22 June 2009 diff hist 0 SGE Cluster Docking →Typical Docking Workflow
- 18:40, 22 June 2009 diff hist -1 Preparing the protein →Running <tt>[[chemgrid]]</tt>
- 18:40, 22 June 2009 diff hist +165 Preparing the protein
- 23:49, 18 March 2009 diff hist +47 Analysing the results →Getting individual atom contributions with scoreopt_so
- 22:58, 18 March 2009 diff hist +149 Analysing the results →Getting individual atom contributions with scoreopt_so
- 22:27, 18 March 2009 diff hist 0 Preparing the ligand →Running amsol
- 22:26, 18 March 2009 diff hist +8 Preparing the ligand →Running amsol
- 22:23, 18 March 2009 diff hist +71 Preparing the ligand →Running amsol
- 20:45, 13 March 2009 diff hist 0 SGE Cluster Docking →Typical Docking Workflow
- 17:41, 4 March 2009 diff hist +70 MUD - Michael's Utilities for Docking
- 00:01, 24 February 2009 diff hist 0 Tutorials
- 00:01, 24 February 2009 diff hist +12 Tutorials
- 02:33, 4 November 2008 diff hist -2 DUMM4
- 02:33, 4 November 2008 diff hist +286 DUMM4
- 17:15, 30 October 2008 diff hist +16 Group Meeting
- 17:14, 30 October 2008 diff hist +266 Group Meeting
- 23:01, 29 October 2008 diff hist +30 Automated Database Preparation
- 23:00, 29 October 2008 diff hist +396 Automated Database Preparation
- 22:35, 29 October 2008 diff hist +80 Automated Database Preparation
- 22:32, 29 October 2008 diff hist +940 Automated Database Preparation
- 22:13, 29 October 2008 diff hist -5 Automated Database Preparation
- 22:12, 29 October 2008 diff hist +32 Automated Database Preparation
- 22:11, 29 October 2008 diff hist +341 Automated Database Preparation
- 21:22, 29 October 2008 diff hist +68 Automated Database Preparation
- 21:21, 29 October 2008 diff hist +47 Automated Database Preparation
- 21:20, 29 October 2008 diff hist +1 Automated Database Preparation
- 21:19, 29 October 2008 diff hist +37 Automated Database Preparation
- 21:17, 29 October 2008 diff hist +419 Automated Database Preparation
- 21:05, 29 October 2008 diff hist +230 Automated Database Preparation
- 21:01, 29 October 2008 diff hist +378 Automated Database Preparation
- 20:48, 29 October 2008 diff hist +574 Automated Database Preparation
- 20:27, 29 October 2008 diff hist +520 Automated Database Preparation
- 20:20, 29 October 2008 diff hist +301 Automated Database Preparation
- 20:10, 29 October 2008 diff hist -1 DUMM4
- 20:09, 29 October 2008 diff hist +1 DUMM4
- 20:08, 29 October 2008 diff hist +46 DUMM4
- 20:08, 29 October 2008 diff hist +30 MUD - Michael's Utilities for Docking
- 10:35, 29 October 2008 diff hist +49 MUD - Michael's Utilities for Docking
- 10:34, 29 October 2008 diff hist -5 MUD - Michael's Utilities for Docking
- 10:33, 29 October 2008 diff hist +200 MUD - Michael's Utilities for Docking
- 10:28, 29 October 2008 diff hist +496 MUD - Michael's Utilities for Docking
- 10:18, 29 October 2008 diff hist +9 MUD - Michael's Utilities for Docking
- 10:18, 29 October 2008 diff hist -8 MUD - Michael's Utilities for Docking
- 10:17, 29 October 2008 diff hist +15 MUD - Michael's Utilities for Docking
- 10:15, 29 October 2008 diff hist +16 MUD - Michael's Utilities for Docking
- 10:13, 29 October 2008 diff hist 0 MUD - Michael's Utilities for Docking
- 10:11, 29 October 2008 diff hist +3 MUD - Michael's Utilities for Docking