User contributions for TBalius

7 April 2016

• 16:2516:25, 7 April 2016 diff hist +40‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎submitting the docking calculations
• 16:2416:24, 7 April 2016 diff hist +867‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎database setup

6 April 2016

• 21:2621:26, 6 April 2016 diff hist +249‎ AMSOL ‎No edit summary
• 20:0420:04, 6 April 2016 diff hist +41‎ DOCK 3.7 tutorial (Anat) ‎ →‎ligand prep
• 20:0220:02, 6 April 2016 diff hist −2‎ DOCK 3.7 tutorial (Anat) ‎ →‎ligand prep

5 April 2016

• 15:2615:26, 5 April 2016 diff hist +93‎ History of DOCK 6 ‎ →‎Version 3.5 current

26 January 2016

• 16:5116:51, 26 January 2016 diff hist +42‎ DOCK 3.7 tutorial (Anat) ‎ →‎Using modified(existing) matching spheres:
• 16:4816:48, 26 January 2016 diff hist +539‎ DOCK 3.7 tutorial (Anat) ‎No edit summary

25 January 2016

• 19:4019:40, 25 January 2016 diff hist +443‎ DOCK 3.7 tutorial (Anat) ‎No edit summary

12 October 2015

• 18:0118:01, 12 October 2015 diff hist +7‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 17:5617:56, 12 October 2015 diff hist 0‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 17:5117:51, 12 October 2015 diff hist +260‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres

2 October 2015

• 22:1022:10, 2 October 2015 diff hist +1‎ ZINC15:update policy ‎No edit summary

11 September 2015

• 21:2621:26, 11 September 2015 diff hist +73‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 21:0921:09, 11 September 2015 diff hist +2‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 21:0921:09, 11 September 2015 diff hist +84‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary

15 July 2015

• 21:2221:22, 15 July 2015 diff hist +110‎ How to compile DOCK ‎ →‎profiling dock

29 June 2015

• 17:2417:24, 29 June 2015 diff hist +40‎ DOCK 3.7 tutorial (Anat) ‎No edit summary
• 17:2117:21, 29 June 2015 diff hist +101‎ DOCK 3.7 tutorial (Anat) ‎No edit summary

25 June 2015

• 22:4522:45, 25 June 2015 diff hist +5,169‎ N DOCK 3.7 tutorial (Anat) ‎ Created page with "==DOCK 3.7== source /nfs/soft/dock/DOCK-3.7-beta3/env.csh source ~/.cshrc_dock37 (my home directory) *“Up directory” refers to the main directory that contains the ‘doc..."
• 22:3522:35, 25 June 2015 diff hist +31‎ DOCK 3.7 ‎ →‎Start here

18 June 2015

• 16:2216:22, 18 June 2015 diff hist +142‎ Trent scripts ‎No edit summary current

29 May 2015

• 18:2218:22, 29 May 2015 diff hist +25‎ Install DOCK 3.7 ‎No edit summary
• 18:2018:20, 29 May 2015 diff hist +102‎ Amsol 7 patch ‎No edit summary current
• 15:5415:54, 29 May 2015 diff hist +96‎ N Amsol 7 patch ‎ Created page with " The Amsol 7 patch is located here: $DOCKBASE/ligand/amsol/patches/amsol7.1_port_intcar.f.diff"

12 May 2015

• 22:3622:36, 12 May 2015 diff hist +1,463‎ DOCKovalent 3.7 ‎ →‎Sending a run
• 21:1721:17, 12 May 2015 diff hist +42‎ DOCKovalent 3.7 ‎ →‎INDOCK parameters
• 19:2219:22, 12 May 2015 diff hist −12‎ DOCKovalent 3.7 ‎ →‎Sending a run
• 18:4518:45, 12 May 2015 diff hist +406‎ DOCKovalent 3.7 ‎ →‎General setup
• 18:3418:34, 12 May 2015 diff hist +143‎ DOCKovalent 3.7 ‎ →‎General setup
• 18:3118:31, 12 May 2015 diff hist +167‎ DOCKovalent 3.7 ‎ →‎General setup

23 April 2015

• 23:5723:57, 23 April 2015 diff hist +42‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎make the hing region more polar
• 23:5623:56, 23 April 2015 diff hist +1‎ DOCK 3.7 tart ‎No edit summary
• 17:5017:50, 23 April 2015 diff hist 0‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎make the hing regen more polar
• 00:1600:16, 23 April 2015 diff hist +69‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary

19 April 2015

• 16:5916:59, 19 April 2015 diff hist +11‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 14:1314:13, 19 April 2015 diff hist +149‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary

18 April 2015

• 00:3500:35, 18 April 2015 diff hist +3,934‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎improving docking
• 00:2400:24, 18 April 2015 diff hist 0‎ N File:Modspheres.png ‎No edit summary current
• 00:2400:24, 18 April 2015 diff hist +305‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 00:1700:17, 18 April 2015 diff hist +73‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎combine scores and poses
• 00:1600:16, 18 April 2015 diff hist 0‎ N File:Decoydock.png ‎No edit summary current
• 00:1500:15, 18 April 2015 diff hist 0‎ N File:Liganddock.png ‎No edit summary current
• 00:1400:14, 18 April 2015 diff hist −1‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎create AUC plot of ligands and decoys

17 April 2015

• 21:0621:06, 17 April 2015 diff hist +7‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎run blastermaster.py
• 21:0621:06, 17 April 2015 diff hist +187‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎combine scores and poses
• 20:4720:47, 17 April 2015 diff hist +414‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎create AUC plot of ligands and decoys
• 20:4420:44, 17 April 2015 diff hist 0‎ N File:AblROCplot.png ‎No edit summary current
• 20:4420:44, 17 April 2015 diff hist +166‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎create AUC plot of ligands and decoys
• 20:4120:41, 17 April 2015 diff hist 0‎ N File:Spheresbox.png ‎No edit summary current
• 20:4020:40, 17 April 2015 diff hist +255‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 20:3620:36, 17 April 2015 diff hist +22‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 20:3620:36, 17 April 2015 diff hist −2‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 20:3420:34, 17 April 2015 diff hist +94‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 20:3120:31, 17 April 2015 diff hist −2‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 20:2720:27, 17 April 2015 diff hist +3,924‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 20:2020:20, 17 April 2015 diff hist +2,575‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 20:1020:10, 17 April 2015 diff hist −9‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎run enrichment calucaltions
• 20:0920:09, 17 April 2015 diff hist −98‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 20:0720:07, 17 April 2015 diff hist 0‎ File:Spheres.png ‎ TBalius uploaded a new version of "File:Spheres.png" current
• 20:0620:06, 17 April 2015 diff hist 0‎ N File:Spheres.png ‎No edit summary
• 20:0420:04, 17 April 2015 diff hist +9‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 20:0320:03, 17 April 2015 diff hist −16‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 20:0320:03, 17 April 2015 diff hist +105‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 20:0220:02, 17 April 2015 diff hist +38‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎visualize the docking spheres
• 20:0020:00, 17 April 2015 diff hist +156‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎run blastermaster.py

15 April 2015

• 22:4022:40, 15 April 2015 diff hist −12‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 22:1722:17, 15 April 2015 diff hist +6‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 22:0222:02, 15 April 2015 diff hist +275‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎run blastermaster.py
• 21:4621:46, 15 April 2015 diff hist −3,782‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 21:4321:43, 15 April 2015 diff hist +5,528‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 21:4121:41, 15 April 2015 diff hist +3,686‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎run blastermaster.py
• 21:3521:35, 15 April 2015 diff hist 0‎ N File:Rec lig 2HYY.png ‎No edit summary current
• 21:3221:32, 15 April 2015 diff hist +420‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎run be_blasti.py
• 21:2521:25, 15 April 2015 diff hist +416‎ N Get msms ‎ Created page with " see the following website for information: [http://mgltools.scripps.edu/packages/MSMS/ msms page] ==Installing MSMS == wget http://mgltools.scripps.edu/downloads/tars/rel..." current
• 21:2121:21, 15 April 2015 diff hist +2,479‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎run be_blasti.py
• 21:1121:11, 15 April 2015 diff hist −37‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 21:1021:10, 15 April 2015 diff hist +101‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 21:0921:09, 15 April 2015 diff hist +116‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎set up directories and get databases
• 21:0521:05, 15 April 2015 diff hist +18‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎No edit summary
• 21:0421:04, 15 April 2015 diff hist +1,212‎ DOCK 3.7 2015/04/15 abl1 Tutorial ‎ →‎set up a directory
• 20:4020:40, 15 April 2015 diff hist +213‎ N DOCK 3.7 2015/04/15 abl1 Tutorial ‎ Created page with " This tutoral use the 3.7.2 beta version of dock release on XXX. == set up a directory == == download enrichment databases == == run be_blasti.py== == run blastermaster.py..."
• 20:3620:36, 15 April 2015 diff hist +40‎ DOCK 3.7 ‎No edit summary

19 March 2015

• 22:4922:49, 19 March 2015 diff hist +86‎ Physical property space ‎ →‎Property Space

6 March 2015

• 17:0917:09, 6 March 2015 diff hist +223‎ How to compile DOCK ‎No edit summary

5 March 2015

• 19:5319:53, 5 March 2015 diff hist −5‎ How to compile DOCK ‎ →‎debuging dock
• 19:5219:52, 5 March 2015 diff hist +663‎ How to compile DOCK ‎No edit summary
• 19:3619:36, 5 March 2015 diff hist +1‎ Install DOCK 3.7 ‎No edit summary

23 October 2014

• 15:4615:46, 23 October 2014 diff hist +87‎ Mol2db2 ‎No edit summary current
• 15:4515:45, 23 October 2014 diff hist +58‎ DOCK 3.7 ‎No edit summary
• 15:4415:44, 23 October 2014 diff hist +293‎ Mol2db2 Format 2 ‎No edit summary current

26 September 2014

• 17:4517:45, 26 September 2014 diff hist +65‎ DOCK 3.7 2014/09/25 FXa Tutorial ‎No edit summary
• 17:4117:41, 26 September 2014 diff hist +52‎ N File:Veiwdock.FXa.frag.top200.png ‎ chimera veiwdock session for FXa with top 200 frags. current
• 17:3817:38, 26 September 2014 diff hist +64‎ DOCK 3.7 2014/09/25 FXa Tutorial ‎ →‎pose visualization
• 13:0613:06, 26 September 2014 diff hist +15‎ DOCK 3.7 2014/09/25 FXa Tutorial ‎ →‎Receptor Preparation
• 13:0513:05, 26 September 2014 diff hist +3‎ DOCK 3.7 2014/09/25 FXa Tutorial ‎ →‎This part of the tutorial uses the GIST development version of DOCK
• 13:0513:05, 26 September 2014 diff hist +135‎ DOCK 3.7 2014/09/25 FXa Tutorial ‎ →‎This part of the tutorial uses the GIST development version of DOCK
• 12:5612:56, 26 September 2014 diff hist +62‎ DOCK 3.7 2014/09/25 FXa Tutorial ‎No edit summary
• 12:5512:55, 26 September 2014 diff hist +377‎ DOCK 3.7 2014/09/25 FXa Tutorial ‎No edit summary
• 12:4912:49, 26 September 2014 diff hist +348‎ DOCK 3.7 2014/09/25 FXa Tutorial ‎ →‎Receptor Preparation