User contributions for Rgc
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5 June 2014
- 10:4810:48, 5 June 2014 diff hist −98 Pka No edit summary current
- 10:4810:48, 5 June 2014 diff hist +98 Pka No edit summary
7 February 2014
- 21:1421:14, 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..."
22 October 2013
- 21:1121:11, 22 October 2013 diff hist +35 m Dock3.7 No edit summary
27 June 2013
- 17:1617:16, 27 June 2013 diff hist +98 Pka No edit summary
26 June 2013
- 18:3318:33, 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 ..."
4 April 2013
- 20:3720:37, 4 April 2013 diff hist −18 m Dock3.7 No edit summary
28 March 2013
- 04:4204:42, 28 March 2013 diff hist 0 m DOCK3.7 INDOCK No edit summary
27 March 2013
- 17:1317:13, 27 March 2013 diff hist +4 m Dock3.7 No edit summary
- 17:1217:12, 27 March 2013 diff hist +2,103 Dock3.7 dock 3.7 user manual step 1
- 16:4016:40, 27 March 2013 diff hist +4,122 N Dock3.7 not done yet, will be DOCK3.7 manual
- 15:0315:03, 27 March 2013 diff hist +1 m DOCK3.7 INDOCK No edit summary
26 March 2013
- 21:5521:55, 26 March 2013 diff hist +4,731 N DOCK3.7 INDOCK DOCK3.7 indock file documentation.
18 January 2013
- 17:1717:17, 18 January 2013 diff hist −14 m GPCR Waiver Wire taking myself off the list, since it is ignored anyway.
30 October 2012
- 23:3723:37, 30 October 2012 diff hist +60 m Blaster Issues problem report from magdalena, low priority but things we should be aware of current
12 October 2012
- 17:2517:25, 12 October 2012 diff hist +19 m User:Rgc No edit summary current
18 September 2012
- 19:2019:20, 18 September 2012 diff hist +115 Cluster Usage No edit summary
11 July 2012
- 19:3519:35, 11 July 2012 diff hist −1 m Mol2db2 Format 2 No edit summary
9 July 2012
- 18:0918:09, 9 July 2012 diff hist +23 m Mol2db2 Format 2 another wishlist item
7 July 2012
- 05:4005:40, 7 July 2012 diff hist +76 Hit picking party added Nir's PAINS link
26 March 2012
- 17:0517:05, 26 March 2012 diff hist −16 m Visualizing delphi No edit summary
28 February 2012
- 18:0618:06, 28 February 2012 diff hist −72 m Flexibase Format making documentation match reality
14 February 2012
- 18:5118:51, 14 February 2012 diff hist +30 N Mol2db Format 2 Mol2db Format 2 moved to Mol2db2 Format 2
- 18:5118:51, 14 February 2012 diff hist 0 m Mol2db2 Format 2 Mol2db Format 2 moved to Mol2db2 Format 2
13 February 2012
- 21:0821:08, 13 February 2012 diff hist +11 m Qnifft DOCK 3.6 conversion No edit summary
- 21:0721:07, 13 February 2012 diff hist +60 m Enm explorer link to paper
8 February 2012
- 16:5616:56, 8 February 2012 diff hist +1 m Db2multipdb.py No edit summary
- 16:5616:56, 8 February 2012 diff hist +51 m Db2multipdb.py No edit summary
- 01:0001:00, 8 February 2012 diff hist +403 m Multimol2db.py added some tips to get this to work from Nir
6 February 2012
- 23:3423:34, 6 February 2012 diff hist −33 m Dock Ligand Clustering No edit summary
- 23:3423:34, 6 February 2012 diff hist +225 m Dock Ligand Clustering No edit summary
- 18:5118:51, 6 February 2012 diff hist +250 Multimol2db.py explaining how henry broke everything
- 18:5018:50, 6 February 2012 diff hist +93 m Multimol2db.py No edit summary
3 February 2012
- 22:2722:27, 3 February 2012 diff hist +403 Multimol2db.py No edit summary
- 22:2622:26, 3 February 2012 diff hist +38 N Multimol2db.py No edit summary
- 22:2622:26, 3 February 2012 diff hist +132 Dockenv Scripts →Utilities
19 January 2012
- 19:2619:26, 19 January 2012 diff hist +6 Flexibase Format No edit summary
- 19:2519:25, 19 January 2012 diff hist +608 Flexibase Format adding more info on colors
17 January 2012
- 18:4118:41, 17 January 2012 diff hist +1,940 Mol2db2 Format 2 adding f95 statements
9 January 2012
- 20:1720:17, 9 January 2012 diff hist +99 m Mol2db2 Format 2 No edit summary
6 January 2012
- 18:3818:38, 6 January 2012 diff hist +43 N Chemoinformatics Waiver Wire No edit summary
4 January 2012
- 20:3420:34, 4 January 2012 diff hist +483 How to compile DOCK other problems found
- 17:1717:17, 4 January 2012 diff hist +25 How to compile DOCK dock_base setup to compile
- 17:1517:15, 4 January 2012 diff hist +2 m How to compile DOCK No edit summary
- 17:1517:15, 4 January 2012 diff hist +180 m How to compile DOCK No edit summary
22 December 2011
- 18:0718:07, 22 December 2011 diff hist −15 m Qnifft DOCK 3.6 conversion No edit summary
- 18:0618:06, 22 December 2011 diff hist −15 m Qnifft DOCK 3.6 conversion No edit summary
- 18:0618:06, 22 December 2011 diff hist −7 DOCK 3.6 No edit summary
20 December 2011
- 22:4522:45, 20 December 2011 diff hist +270 CSD No edit summary
15 December 2011
- 23:1323:13, 15 December 2011 diff hist +6 INDOCK for DOCK 3.6 No edit summary
- 23:1323:13, 15 December 2011 diff hist +71 INDOCK for DOCK 3.6 No edit summary
- 22:2922:29, 15 December 2011 diff hist +91 N GPCR Waiver Wire No edit summary
1 December 2011
- 22:0322:03, 1 December 2011 diff hist +181 m Pka No edit summary
21 November 2011
- 20:1320:13, 21 November 2011 diff hist +102 Qnifft DOCK 3.6 conversion No edit summary
- 20:1120:11, 21 November 2011 diff hist +33 m INDOCK for DOCK 3.6 No edit summary
- 20:0920:09, 21 November 2011 diff hist −61 Qnifft DOCK 3.6 conversion No edit summary
- 19:5519:55, 21 November 2011 diff hist +27 DOCK 3.6 No edit summary
14 November 2011
- 23:3823:38, 14 November 2011 diff hist +19 m Dock Ligand Clustering No edit summary
- 23:3823:38, 14 November 2011 diff hist +19 m Qnifft DOCK 3.6 conversion No edit summary
- 17:1417:14, 14 November 2011 diff hist +97 m DOCK 3.6 →Qnifft
12 November 2011
- 00:0700:07, 12 November 2011 diff hist +5 Splitdb.py No edit summary
- 00:0600:06, 12 November 2011 diff hist +386 N Splitdb.py new page about splitdb.py
- 00:0400:04, 12 November 2011 diff hist +117 Dockenv Scripts new code
11 November 2011
- 17:1517:15, 11 November 2011 diff hist +104 m MPose No edit summary
9 November 2011
- 21:0621:06, 9 November 2011 diff hist +258 m Qnifft DOCK 3.6 conversion No edit summary
- 21:0421:04, 9 November 2011 diff hist +25 m Dock Ligand Clustering No edit summary
19 October 2011
- 23:3923:39, 19 October 2011 diff hist +108 m INDOCK for DOCK 3.6 No edit summary
- 17:2517:25, 19 October 2011 diff hist +458 m Qnifft DOCK 3.6 conversion compilation
- 17:2317:23, 19 October 2011 diff hist +382 m Qnifft DOCK 3.6 conversion finished first draft?
- 00:5400:54, 19 October 2011 diff hist +1,290 N Qnifft DOCK 3.6 conversion stopping for the night, first draft.
- 00:1100:11, 19 October 2011 diff hist +265 m DOCK 3.6 No edit summary
13 October 2011
- 22:4022:40, 13 October 2011 diff hist +1,346 DOCK 3.6 restoring
28 September 2011
- 18:0918:09, 28 September 2011 diff hist +4 m Decoy Theory No edit summary
26 September 2011
- 22:2822:28, 26 September 2011 diff hist +24 m Inspecting electron density maps No edit summary
- 22:2622:26, 26 September 2011 diff hist +4 m Decoy Theory No edit summary
- 22:2522:25, 26 September 2011 diff hist +11 m Delphi No edit summary
- 22:1822:18, 26 September 2011 diff hist −298 m Grid Based Score formatting
- 22:0822:08, 26 September 2011 diff hist +57 Delphi electrostatics No edit summary
- 22:0722:07, 26 September 2011 diff hist +20 Decoys No edit summary
- 22:0522:05, 26 September 2011 diff hist +90 m Decoy Theory categories
- 22:0322:03, 26 September 2011 diff hist +2,019 Decoy Theory a page trying to explain decoy theory
- 21:2721:27, 26 September 2011 diff hist +13 m Decoy Theory No edit summary
- 21:2621:26, 26 September 2011 diff hist +62 m Decoy Theory No edit summary
- 21:2621:26, 26 September 2011 diff hist +28 m Decoy Theory new page outline
- 21:2621:26, 26 September 2011 diff hist +120 Nm Decoy Theory new page outline
23 September 2011
- 20:4220:42, 23 September 2011 diff hist −1 m ZINC Database No edit summary
- 20:4220:42, 23 September 2011 diff hist −5 m ZINC Database No edit summary
- 20:4120:41, 23 September 2011 diff hist +19 m ZINC Database No edit summary
13 September 2011
- 20:2920:29, 13 September 2011 diff hist 0 m INDOCK for DOCK 3.6 No edit summary
12 September 2011
- 18:1718:17, 12 September 2011 diff hist +11,020 N INDOCK for DOCK 3.6 try to document INDOCK file
8 September 2011
- 21:0621:06, 8 September 2011 diff hist +65 CSD No edit summary
5 September 2011
- 21:3621:36, 5 September 2011 diff hist +119 m Travel Depth →Pocket Picking
17 August 2011
- 23:0223:02, 17 August 2011 diff hist +67 m Dock Ligand Clustering No edit summary
21 July 2011
- 21:4221:42, 21 July 2011 diff hist +33 Dock Ligand Clustering No edit summary
- 21:4221:42, 21 July 2011 diff hist +1,575 N Dock Ligand Clustering first version
23 June 2011
- 16:5816:58, 23 June 2011 diff hist −56 CSD deleting password
21 June 2011
- 17:5217:52, 21 June 2011 diff hist +1 m ChEMBL errata No edit summary
- 17:5117:51, 21 June 2011 diff hist −4 m ChEMBL errata No edit summary
- 17:5117:51, 21 June 2011 diff hist +152 ChEMBL errata No edit summary
- 17:4317:43, 21 June 2011 diff hist −2 m ChEMBL errata No edit summary