User contributions for Btingle
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11 July 2023
- 19:0519:05, 11 July 2023 diff hist +24 All About DB2 Files No edit summary current
14 June 2023
- 00:3300:33, 14 June 2023 diff hist +2 All About DB2 Files →What is the deal with sets and confs?
- 00:3200:32, 14 June 2023 diff hist +19 All About DB2 Files →The nittier grittier
- 00:3100:31, 14 June 2023 diff hist +95 All About DB2 Files →What is the deal with sets and confs?
- 00:2800:28, 14 June 2023 diff hist +19 All About DB2 Files →The nitty gritty
- 00:2600:26, 14 June 2023 diff hist +118 All About DB2 Files →What is the deal with sets and confs?
- 00:2500:25, 14 June 2023 diff hist +171 All About DB2 Files No edit summary
- 00:2000:20, 14 June 2023 diff hist −91 All About DB2 Files No edit summary Tag: Manual revert
- 00:1900:19, 14 June 2023 diff hist +91 All About DB2 Files No edit summary
- 00:1500:15, 14 June 2023 diff hist +2 All About DB2 Files →What is the deal with sets and confs?
- 00:1400:14, 14 June 2023 diff hist +2 All About DB2 Files →The nitty gritty
- 00:1400:14, 14 June 2023 diff hist +2 All About DB2 Files →The brass tacks
- 00:1300:13, 14 June 2023 diff hist +6 All About DB2 Files →The nitty gritty
- 00:1300:13, 14 June 2023 diff hist +4,729 N All About DB2 Files Created page with "== The brass tacks == DB2 files encode & compress 3D molecule rotomers, sometimes referred to as conformations. DB2 files do not store the dihedral angles of rotomers, but instead the per-atom coordinates resulting from those angles Atoms of different rotomers whose coordinates overlap are merged together in db2 files (how this is done will be detailed more later), thus allowing DOCK to avoid double-calculating per-atom energies == The nitty gritty == DB2 is a text fo..."
13 June 2023
- 19:2719:27, 13 June 2023 diff hist +114 Smallworld and Arthor Databases →Smallworld slides/presentations current
- 19:2419:24, 13 June 2023 diff hist +6 Smallworld and Arthor Databases →Smallworld Databases
- 19:2319:23, 13 June 2023 diff hist +157 Smallworld and Arthor Databases No edit summary
- 19:2019:20, 13 June 2023 diff hist +171 Smallworld and Arthor Databases No edit summary
31 May 2023
- 22:2122:21, 31 May 2023 diff hist +91 Installing The 3D Pipeline ZINC22 No edit summary current
- 22:2122:21, 31 May 2023 diff hist +2,380 N Installing The 3D Pipeline ZINC22 Created page with "Installation of the 3D pipeline is somewhat tricky- the environment is very particular about which versions of which software should be used. It is thus easiest to copy the exact software packages we use from our servers- this should work provided they are installed in a 64-bit linux architecture, though depending on the distribution certain shared libraries may be missing. == Setting up the installation root == First find a suitable directory which will serve as the r..."
18 May 2023
- 18:5718:57, 18 May 2023 diff hist +85 TLDR →Making changes to modules & scripts current
- 18:5618:56, 18 May 2023 diff hist +119 TLDR →Making changes to modules & scripts
- 18:5518:55, 18 May 2023 diff hist +8 TLDR →How to open source code & make a change
- 18:5518:55, 18 May 2023 diff hist −12 TLDR →Technical info
- 18:5418:54, 18 May 2023 diff hist +1,752 TLDR No edit summary
11 May 2023
- 21:3821:38, 11 May 2023 diff hist +23 SUBDOCK DOCK3.8 →What's New?
- 21:3821:38, 11 May 2023 diff hist +238 SUBDOCK DOCK3.8 →What's New?
- 18:1718:17, 11 May 2023 diff hist −59 SUBDOCK DOCK3.8 →What's New?
- 17:5417:54, 11 May 2023 diff hist −1 SUBDOCK DOCK3.8 →Supported Platforms
- 17:5217:52, 11 May 2023 diff hist +42 SUBDOCK DOCK3.8 →Using Charity Engine
- 17:5117:51, 11 May 2023 diff hist +316 SUBDOCK DOCK3.8 →Supported Platforms
- 17:4917:49, 11 May 2023 diff hist +17 SUBDOCK DOCK3.8 →What's New?
- 17:4717:47, 11 May 2023 diff hist +244 SUBDOCK DOCK3.8 →What's New?
- 17:3617:36, 11 May 2023 diff hist +4 SUBDOCK DOCK3.8 →Supported Platforms
- 17:3517:35, 11 May 2023 diff hist +12 SUBDOCK DOCK3.8 →Supported Platforms
- 17:3517:35, 11 May 2023 diff hist 0 SUBDOCK DOCK3.8 →Supported Platforms
- 17:3417:34, 11 May 2023 diff hist +77 SUBDOCK DOCK3.8 →Supported Platforms
25 April 2023
- 21:2121:21, 25 April 2023 diff hist +130 m SUBDOCK DOCK3.8 →Mixing DOCK 3.7 and DOCK 3.8 - known problems
- 20:5820:58, 25 April 2023 diff hist −193 SUBDOCK DOCK3.8 No edit summary
- 20:5420:54, 25 April 2023 diff hist +456 SUBDOCK DOCK3.8 →Error Messages in my OUTDOCK!
- 20:4920:49, 25 April 2023 diff hist +38 SUBDOCK DOCK3.8 →Restartability
- 19:3019:30, 25 April 2023 diff hist +56 m SUBDOCK DOCK3.8 →Full Example - All Steps
21 April 2023
- 23:5923:59, 21 April 2023 diff hist +174 SUBDOCK DOCK3.8 No edit summary
- 20:3420:34, 21 April 2023 diff hist +41 SUBDOCK DOCK3.8 →What's New?
- 20:3120:31, 21 April 2023 diff hist +85 SUBDOCK DOCK3.8 →How to continue jobs
- 20:2920:29, 21 April 2023 diff hist +4 m SUBDOCK DOCK3.8 →How to continue jobs
- 20:2820:28, 21 April 2023 diff hist +178 SUBDOCK DOCK3.8 →How to continue jobs
- 20:2520:25, 21 April 2023 diff hist +1 m SUBDOCK DOCK3.8 →How to use for your Job Platform
- 20:2520:25, 21 April 2023 diff hist +402 SUBDOCK DOCK3.8 →Restartability
- 20:1620:16, 21 April 2023 diff hist +3 m SUBDOCK DOCK3.8 →Restartability
- 20:1520:15, 21 April 2023 diff hist +1 SUBDOCK DOCK3.8 →Restartability
- 20:1520:15, 21 April 2023 diff hist +1 SUBDOCK DOCK3.8 →Restartability
- 20:1520:15, 21 April 2023 diff hist +1,217 SUBDOCK DOCK3.8 No edit summary
- 20:0120:01, 21 April 2023 diff hist +149 SUBDOCK DOCK3.8 →What's New?
- 19:5719:57, 21 April 2023 diff hist +18 SUBDOCK DOCK3.8 →Full Example - All Steps
- 19:5519:55, 21 April 2023 diff hist +1,051 SUBDOCK DOCK3.8 →SUBDOCK help splash - all argument descriptions & defaults
8 April 2023
- 17:0617:06, 8 April 2023 diff hist +50 DOCK 3.8 No edit summary current
- 17:0517:05, 8 April 2023 diff hist −17 How to compile DOCK →PGF License Error & Other Scruples current
- 17:0517:05, 8 April 2023 diff hist +65 How to compile DOCK →compiling dock3.8
27 March 2023
- 22:0222:02, 27 March 2023 diff hist +22 Repackaging DB2 DOCK38 No edit summary current
- 21:5921:59, 27 March 2023 diff hist +439 Repackaging DB2 DOCK38 No edit summary
22 March 2023
- 19:5519:55, 22 March 2023 diff hist +152 OCI:Create account →policies
- 19:5419:54, 22 March 2023 diff hist +1,216 OCI:Create account No edit summary
16 March 2023
- 18:1118:11, 16 March 2023 diff hist +302 Repackaging DB2 DOCK38 No edit summary
- 18:0518:05, 16 March 2023 diff hist +213 Repackaging DB2 DOCK38 No edit summary
9 March 2023
- 18:1118:11, 9 March 2023 diff hist +272 Building The 3D Pipeline ZINC22 →Software Options current
- 18:0718:07, 9 March 2023 diff hist +47 ZINC22:Building 3D Redirected page to Building The 3D Pipeline ZINC22 current Tag: New redirect
- 18:0618:06, 9 March 2023 diff hist 0 ZINC-22:3D Building Changed redirect target from Building the 3D Pipeline ZINC22 to Building The 3D Pipeline ZINC22 current Tag: Redirect target changed
- 18:0618:06, 9 March 2023 diff hist +3 ZINC-22:3D Building Redirected page to Building the 3D Pipeline ZINC22 Tag: New redirect
- 18:0518:05, 9 March 2023 diff hist −2,188 ZINC-22:3D Building Replaced content with "#REDIRECT[Building the 3D Pipeline ZINC22]" Tag: Replaced
7 March 2023
- 20:5720:57, 7 March 2023 diff hist −421 SUBDOCK DOCK3.8 →SUBDOCK help splash - all argument descriptions & defaults
3 March 2023
- 04:5204:52, 3 March 2023 diff hist −36 How to install DOCK 3.8 →Compiling from source current
- 04:5104:51, 3 March 2023 diff hist +395 How to install DOCK 3.8 No edit summary
- 04:4604:46, 3 March 2023 diff hist +132 How to install DOCK 3.8 →Prebuilt Executable
- 04:4404:44, 3 March 2023 diff hist +7 How to install DOCK 3.8 →Prebuilt Executable
- 04:3404:34, 3 March 2023 diff hist +94 Docking Analysis in DOCK3.8 →Usage current
- 04:3404:34, 3 March 2023 diff hist +232 Docking Analysis in DOCK3.8 →Usage
2 March 2023
- 21:4521:45, 2 March 2023 diff hist +22 Building The 3D Pipeline ZINC22 No edit summary
- 21:4121:41, 2 March 2023 diff hist +58 DOCK 3.8 No edit summary
- 21:4021:40, 2 March 2023 diff hist +294 DOCK 3.8 No edit summary
- 21:3421:34, 2 March 2023 diff hist +23 SUBDOCK DOCK3.8 No edit summary
- 21:3321:33, 2 March 2023 diff hist +1 Repackaging DB2 DOCK38 No edit summary
- 21:3321:33, 2 March 2023 diff hist +22 Repackaging DB2 DOCK38 No edit summary
- 21:3221:32, 2 March 2023 diff hist +22 DOCK 3.8 No edit summary
- 21:3021:30, 2 March 2023 diff hist +21 Docking Analysis in DOCK3.8 →Conda Environment
- 21:3021:30, 2 March 2023 diff hist −114 Docking Analysis in DOCK3.8 →Location of new scripts/Install Instructions
- 21:2621:26, 2 March 2023 diff hist 0 SUBDOCK DOCK3.8 No edit summary
- 21:2521:25, 2 March 2023 diff hist +543 SUBDOCK DOCK3.8 No edit summary
- 21:1821:18, 2 March 2023 diff hist +3 Docking Analysis in DOCK3.8 →Location of new scripts/Install Instructions
- 21:0721:07, 2 March 2023 diff hist +2 Docking Analysis in DOCK3.8 →Conda Environment
- 21:0221:02, 2 March 2023 diff hist −313 Docking Analysis in DOCK3.8 →Manual Install
- 21:0221:02, 2 March 2023 diff hist −2,105 Docking Analysis in DOCK3.8 →Python 3.8+
- 20:5920:59, 2 March 2023 diff hist −4 Docking Analysis in DOCK3.8 No edit summary
- 20:5920:59, 2 March 2023 diff hist +204 Docking Analysis in DOCK3.8 →Python 3.8
- 20:5520:55, 2 March 2023 diff hist +26 How to install DOCK 3.8 No edit summary
- 20:5420:54, 2 March 2023 diff hist +207 How to install DOCK 3.8 No edit summary
- 20:4020:40, 2 March 2023 diff hist +24 Main Page No edit summary
- 20:3720:37, 2 March 2023 diff hist +11 DOCK 3.8 No edit summary
- 20:3420:34, 2 March 2023 diff hist −2 Building The 3D Pipeline ZINC22 No edit summary
- 20:3320:33, 2 March 2023 diff hist +387 Building The 3D Pipeline ZINC22 No edit summary