User contributions for Mysinger
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10 May 2012
- 21:4421:44, 10 May 2012 diff hist 0 m Preparing the protein switch to solvmap_sev
- 21:4221:42, 10 May 2012 diff hist +8 m Preparing the protein change solvmap to newsolv.sev in 2 places
15 March 2012
- 20:5220:52, 15 March 2012 diff hist 0 m ZINC processing pipeline Adjust current ring puckering settings
25 January 2012
26 October 2011
- 20:4520:45, 26 October 2011 diff hist 0 m INDOCK for DOCK 3.6 change file date to match sphere change
- 20:4120:41, 26 October 2011 diff hist 0 INDOCK for DOCK 3.6 change match3 to match2
17 October 2011
- 01:4301:43, 17 October 2011 diff hist +79 m INDOCK for DOCK 3.6 note that remove_positive_solvation will be removed
20 September 2011
- 23:5823:58, 20 September 2011 diff hist +4 Running DOCK →Running DOCK
- 23:5723:57, 20 September 2011 diff hist −414 Preparing the protein Remove distmap references, add prot2crg.py
8 June 2011
- 06:0606:06, 8 June 2011 diff hist +33 m Preparing the protein No edit summary
- 06:0206:02, 8 June 2011 diff hist +37 Preparing the protein →Modifying the spheres
28 May 2011
- 03:4703:47, 28 May 2011 diff hist +27 Analysing the results →Atomic contributions to the desolvation
- 03:4603:46, 28 May 2011 diff hist −1 m Analysing the results →Atomic contributions to the coulombic energy
- 03:4603:46, 28 May 2011 diff hist +741 Analysing the results Update to the modern way to scoreopt
18 March 2011
- 21:4321:43, 18 March 2011 diff hist +38 Chembl2pdb →GENERATION PROCEDURE
- 21:4221:42, 18 March 2011 diff hist −18 Chembl2pdb →GENERATION PROCEDURE
- 21:4121:41, 18 March 2011 diff hist 0 Chembl2pdb →GENERATION PROCEDURE
- 21:4121:41, 18 March 2011 diff hist +2 Chembl2pdb →GENERATION PROCEDURE
- 21:4121:41, 18 March 2011 diff hist −2,201 Chembl2pdb New simplified generation procedure
13 January 2010
- 00:3900:39, 13 January 2010 diff hist +4 m MUD - Michael's Utilities for Docking →Computing Enrichments
- 00:3700:37, 13 January 2010 diff hist +160 LogAUC No edit summary
- 00:3200:32, 13 January 2010 diff hist +1,951 LogAUC No edit summary
- 00:1500:15, 13 January 2010 diff hist +1,261 LogAUC No edit summary
- 00:0000:00, 13 January 2010 diff hist +254 LogAUC No edit summary
12 January 2010
- 23:4123:41, 12 January 2010 diff hist +641 N LogAUC No edit summary
- 22:5622:56, 12 January 2010 diff hist +63 How To Guides No edit summary
5 December 2009
- 02:5602:56, 5 December 2009 diff hist +2 Running DOCK →Running DOCK
- 02:5602:56, 5 December 2009 diff hist +7 Running DOCK →Running DOCK
- 02:5502:55, 5 December 2009 diff hist +24 Running DOCK No edit summary
- 02:5502:55, 5 December 2009 diff hist +23 Preparing the ligand No edit summary
- 02:5402:54, 5 December 2009 diff hist +23 Analysing the results No edit summary
- 02:5402:54, 5 December 2009 diff hist +23 Preparing the protein No edit summary
- 02:5302:53, 5 December 2009 diff hist −1 m Analysing the results →Getting individual atom contributions with scoreopt_so
- 02:5202:52, 5 December 2009 diff hist +101 Analysing the results →Some analyses that can be performed
- 02:5002:50, 5 December 2009 diff hist +4 Analysing the results →Getting individual atom contributions with scoreopt_so
- 02:5002:50, 5 December 2009 diff hist +12 m Analysing the results No edit summary
- 02:4902:49, 5 December 2009 diff hist +603 Analysing the results →Getting individual atom contributions with scoreopt_so
- 02:3902:39, 5 December 2009 diff hist −167 Analysing the results →Obtaining the net charge of a docked molecule
- 02:3702:37, 5 December 2009 diff hist +3 m Analysing the results →Combining the results of all subdirectories
- 02:3602:36, 5 December 2009 diff hist −4 m Analysing the results →Combining the results of all subdirectories
- 02:3602:36, 5 December 2009 diff hist −95 Analysing the results →Combining the results of all subdirectories
- 02:2802:28, 5 December 2009 diff hist +25 Running DOCK →Running DOCK
- 01:5901:59, 5 December 2009 diff hist +174 MUD - Michael's Utilities for Docking No edit summary
- 01:5801:58, 5 December 2009 diff hist +23 SGE Cluster Docking No edit summary
- 01:5401:54, 5 December 2009 diff hist +31 SGE Cluster Docking Update to modern workflow
- 01:4401:44, 5 December 2009 diff hist +1,721 MUD - Michael's Utilities for Docking Add energy histogram programs
- 01:1901:19, 5 December 2009 diff hist +159 m How to compile DOCK No edit summary
- 01:1401:14, 5 December 2009 diff hist −236 How to compile DOCK Change to subversion
25 September 2009
28 August 2009
- 00:3000:30, 28 August 2009 diff hist +30 m How to compile DOCK bugfix
- 00:2700:27, 28 August 2009 diff hist −133 How to compile DOCK Adapt to newer dock Makefile
27 August 2009
- 23:2923:29, 27 August 2009 diff hist +13 How to compile DOCK No edit summary
8 July 2009
- 00:0500:05, 8 July 2009 diff hist −6 MUD - Michael's Utilities for Docking No edit summary
22 June 2009
- 19:0119:01, 22 June 2009 diff hist 0 SGE Cluster Docking →Typical Docking Workflow
- 18:4018:40, 22 June 2009 diff hist −1 Preparing the protein →Running <tt>[[chemgrid]]</tt>
- 18:4018:40, 22 June 2009 diff hist +165 Preparing the protein No edit summary
18 March 2009
- 23:4923:49, 18 March 2009 diff hist +47 Analysing the results →Getting individual atom contributions with scoreopt_so
- 22:5822:58, 18 March 2009 diff hist +149 Analysing the results →Getting individual atom contributions with scoreopt_so
- 22:2722:27, 18 March 2009 diff hist 0 Preparing the ligand →Running amsol
- 22:2622:26, 18 March 2009 diff hist +8 Preparing the ligand →Running amsol
- 22:2322:23, 18 March 2009 diff hist +71 Preparing the ligand →Running amsol
13 March 2009
4 March 2009
- 17:4117:41, 4 March 2009 diff hist +70 MUD - Michael's Utilities for Docking No edit summary
24 February 2009
- 00:0100:01, 24 February 2009 diff hist 0 Tutorials No edit summary
- 00:0100:01, 24 February 2009 diff hist +12 Tutorials No edit summary
4 November 2008
- 02:3302:33, 4 November 2008 diff hist −2 DUMM4 No edit summary
- 02:3302:33, 4 November 2008 diff hist +286 DUMM4 No edit summary
30 October 2008
- 17:1517:15, 30 October 2008 diff hist +16 Group Meeting No edit summary
- 17:1417:14, 30 October 2008 diff hist +266 Group Meeting No edit summary
29 October 2008
- 23:0123:01, 29 October 2008 diff hist +30 Automated Database Preparation No edit summary
- 23:0023:00, 29 October 2008 diff hist +396 Automated Database Preparation No edit summary
- 22:3522:35, 29 October 2008 diff hist +80 Automated Database Preparation No edit summary
- 22:3222:32, 29 October 2008 diff hist +940 Automated Database Preparation No edit summary
- 22:1322:13, 29 October 2008 diff hist −5 Automated Database Preparation No edit summary
- 22:1222:12, 29 October 2008 diff hist +32 Automated Database Preparation No edit summary
- 22:1122:11, 29 October 2008 diff hist +341 Automated Database Preparation No edit summary
- 21:2221:22, 29 October 2008 diff hist +68 Automated Database Preparation No edit summary
- 21:2121:21, 29 October 2008 diff hist +47 Automated Database Preparation No edit summary
- 21:2021:20, 29 October 2008 diff hist +1 Automated Database Preparation No edit summary
- 21:1921:19, 29 October 2008 diff hist +37 Automated Database Preparation No edit summary
- 21:1721:17, 29 October 2008 diff hist +419 Automated Database Preparation No edit summary
- 21:0521:05, 29 October 2008 diff hist +230 Automated Database Preparation No edit summary
- 21:0121:01, 29 October 2008 diff hist +378 Automated Database Preparation No edit summary
- 20:4820:48, 29 October 2008 diff hist +574 Automated Database Preparation No edit summary
- 20:2720:27, 29 October 2008 diff hist +520 Automated Database Preparation No edit summary
- 20:2020:20, 29 October 2008 diff hist +301 Automated Database Preparation No edit summary
- 20:1020:10, 29 October 2008 diff hist −1 DUMM4 No edit summary
- 20:0920:09, 29 October 2008 diff hist +1 DUMM4 No edit summary
- 20:0820:08, 29 October 2008 diff hist +46 DUMM4 No edit summary
- 20:0820:08, 29 October 2008 diff hist +30 MUD - Michael's Utilities for Docking No edit summary
- 10:3510:35, 29 October 2008 diff hist +49 MUD - Michael's Utilities for Docking No edit summary
- 10:3410:34, 29 October 2008 diff hist −5 MUD - Michael's Utilities for Docking No edit summary
- 10:3310:33, 29 October 2008 diff hist +200 MUD - Michael's Utilities for Docking No edit summary
- 10:2810:28, 29 October 2008 diff hist +496 MUD - Michael's Utilities for Docking No edit summary
- 10:1810:18, 29 October 2008 diff hist +9 MUD - Michael's Utilities for Docking No edit summary
- 10:1810:18, 29 October 2008 diff hist −8 MUD - Michael's Utilities for Docking No edit summary
- 10:1710:17, 29 October 2008 diff hist +15 MUD - Michael's Utilities for Docking No edit summary
- 10:1510:15, 29 October 2008 diff hist +16 MUD - Michael's Utilities for Docking No edit summary
- 10:1310:13, 29 October 2008 diff hist 0 MUD - Michael's Utilities for Docking No edit summary
- 10:1110:11, 29 October 2008 diff hist +3 MUD - Michael's Utilities for Docking No edit summary