User contributions for Frodo

19:3219:32, 9 April 2024 diff hist −13‎ m Chemistry commons Notes ‎ →‎Export Chemistry Commons DB: asdf current

21:4621:46, 22 February 2024 diff hist +41‎ m DOCK 3.8:How to build a release ‎ →‎Distribution: asdf current
21:4521:45, 22 February 2024 diff hist +80‎ m DOCK 3.8:How to build a release ‎ →‎Get the 3D building pipeline: asdf
21:4021:40, 22 February 2024 diff hist +147‎ m DOCK 3.8:How to build a release ‎ →‎Get the 3D building pipeline: asdf
21:3621:36, 22 February 2024 diff hist −7‎ m DOCK 3.8:How to build a release ‎ →‎Incorporate the fruits of (1), (2) and (3) into DOCK3.8 repository housing an arsenal of scripts: asdf
21:3121:31, 22 February 2024 diff hist +11‎ m DOCK 3.8:How to build a release ‎ asdf
21:2921:29, 22 February 2024 diff hist +67‎ m DOCK 3.8:How to build a release ‎ asdf
21:2621:26, 22 February 2024 diff hist +45‎ N How to release DOCK ‎ asdf current Tag: New redirect
21:2521:25, 22 February 2024 diff hist +173‎ m DOCK 3.8:How to build a release ‎ asdf
21:2221:22, 22 February 2024 diff hist +850‎ m DOCK 3.8:How to build a release ‎ asdf
21:0421:04, 22 February 2024 diff hist +201‎ N Create venv ‎ shoulda had this a long time ago current
21:0021:00, 22 February 2024 diff hist +418‎ m DOCK 3.8:How to build a release ‎ asdf
20:5120:51, 22 February 2024 diff hist +425‎ m DOCK 3.8:How to build a release ‎ asdf

19:0019:00, 3 November 2023 diff hist −12‎ m Group Meeting ‎ →‎Rotation Order: asdf

20:0920:09, 27 October 2023 diff hist +862‎ N ZINC22:Layers ‎ asdf current

21:0521:05, 19 October 2023 diff hist +1‎ m DOCK 3.7 2015/04/15 abl1 Tutorial ‎ asdf current
21:0521:05, 19 October 2023 diff hist +2‎ m JupyterNotebook ‎ asdf current
21:0421:04, 19 October 2023 diff hist +2‎ m DOCK 3.7 2018/06/05 abl1 Tutorial ‎ asdf current

20:5520:55, 20 July 2023 diff hist −20‎ m Sysadmin ‎ asdf current

15:2515:25, 19 April 2023 diff hist +286‎ Nm User talk:Saadamin2006 ‎ Welcome! current
15:2515:25, 19 April 2023 diff hist +24‎ Nm User:Saadamin2006 ‎ Creating user page for new user. current

22:2622:26, 12 April 2023 diff hist +10‎ m Smallworld and Arthor Databases ‎ asdf
22:2422:24, 12 April 2023 diff hist +434‎ N Search ‎ asdf current
18:0118:01, 12 April 2023 diff hist +47‎ m Standup tuesday ‎ asd current
17:4017:40, 12 April 2023 diff hist +1,035‎ N Standup tuesday ‎ asdf

18:1618:16, 31 March 2023 diff hist +623‎ N Properties ‎ asdf
16:1116:11, 31 March 2023 diff hist +1‎ m Installing DOCK6 on Apple Silicon M2 ‎ sdfg current
16:1016:10, 31 March 2023 diff hist +302‎ N Installing DOCK6 on Apple Silicon M2 ‎ asdf

17:5017:50, 23 March 2023 diff hist +38‎ m OCI:More work ‎ asdf current
17:4917:49, 23 March 2023 diff hist +192‎ N OCI:More work ‎ asdf

20:2420:24, 22 March 2023 diff hist +73‎ m OCI:Create account ‎ asdf current
20:2320:23, 22 March 2023 diff hist +437‎ m OCI:Create account ‎ sdf
20:1320:13, 22 March 2023 diff hist +740‎ OCI:Create account ‎ asfd
20:0020:00, 22 March 2023 diff hist +161‎ m OCI:Create account ‎ →‎create dynamic group: asdf
19:4919:49, 22 March 2023 diff hist +904‎ N OCI:Create account ‎ asdf
18:3518:35, 22 March 2023 diff hist +7,982‎ N OCI:Set up account ‎ asdf current

22:2522:25, 20 March 2023 diff hist +765‎ Covalent library preparation 2023 ‎ asdf current
22:2422:24, 20 March 2023 diff hist +652‎ N Covalent library preparation 2023 ‎ qasdf
22:2322:23, 20 March 2023 diff hist +24‎ m DOCKovalent cysteine inhibitor design tutorial ‎ asdf current
22:2222:22, 20 March 2023 diff hist +24‎ m DOCKovalent lysine inihibitor design tutorial ‎ asdf current

20:2120:21, 15 March 2023 diff hist +1,653‎ N TLDR:enumeration ‎ asdf current
19:4219:42, 15 March 2023 diff hist +786‎ N TLDR:bbfilter ‎ asdf current

21:5321:53, 16 February 2023 diff hist +45‎ How to create actives and decoys for dockopt ‎ asdf current
21:5221:52, 16 February 2023 diff hist +269‎ How to create actives and decoys for dockopt ‎ asdf
21:5221:52, 16 February 2023 diff hist +69‎ N How to create actives and decoys for dockopt ‎ asdf
21:4921:49, 16 February 2023 diff hist +2‎ DOCK3.8:Pydock3 ‎ →‎Instructions: asdf
21:4821:48, 16 February 2023 diff hist −37‎ Dockopt (pydock3 script) ‎ asdf
21:4821:48, 16 February 2023 diff hist −293‎ m Dockopt (pydock3 script) ‎ asdf
21:4721:47, 16 February 2023 diff hist +172‎ N Docking configuration ‎ asdf current
21:4521:45, 16 February 2023 diff hist −25‎ Dockopt (pydock3 script) ‎ →‎run: asdf
21:4221:42, 16 February 2023 diff hist +104‎ m Dockopt (pydock3 script) ‎ →‎init: asdf
21:4121:41, 16 February 2023 diff hist 0‎ m Dockopt (pydock3 script) ‎ →‎init: asdf
21:3921:39, 16 February 2023 diff hist +168‎ m Dockopt (pydock3 script) ‎ →‎init: asdf
21:3721:37, 16 February 2023 diff hist +15‎ Dockopt (pydock3 script) ‎ asdf
21:3721:37, 16 February 2023 diff hist +112‎ m Dockopt (pydock3 script) ‎ asdf
21:3621:36, 16 February 2023 diff hist +299‎ m Dockopt (pydock3 script) ‎ sasdf
21:3421:34, 16 February 2023 diff hist +76‎ m Dockopt (pydock3 script) ‎ asdf
21:3321:33, 16 February 2023 diff hist +2‎ m Dockopt (pydock3 script) ‎ asdf

19:3119:31, 8 February 2023 diff hist +1,553‎ N Caveat Emptor ‎ asdf current

01:3401:34, 31 January 2023 diff hist +49‎ Group Meeting ‎ →‎Rotation Order: asd
01:2901:29, 31 January 2023 diff hist +12‎ Group Meeting ‎ →‎Rotation Order: asdf

20:2920:29, 30 January 2023 diff hist +31‎ m Group Meeting ‎ →‎Rotation Order: asdf

17:1217:12, 13 January 2023 diff hist +288‎ Nm User talk:H-arima ‎ Welcome! current
17:1217:12, 13 January 2023 diff hist +380‎ Nm User:H-arima ‎ Creating user page for new user. current

18:2718:27, 16 December 2022 diff hist −247‎ m Smallworld and Arthor Databases ‎ →‎arthorc.docking.org: sd
18:2418:24, 16 December 2022 diff hist +2‎ m Smallworld and Arthor Databases ‎ →‎sw.docking.org: asdf
18:2318:23, 16 December 2022 diff hist −139‎ m Smallworld and Arthor Databases ‎ →‎swc.docking.org: asdf
18:2118:21, 16 December 2022 diff hist +610‎ m Smallworld and Arthor Databases ‎ →‎arthor.docking.org: asdf
18:1418:14, 16 December 2022 diff hist +43‎ m Smallworld and Arthor Databases ‎ →‎swcc.docking.org: asdf
18:1418:14, 16 December 2022 diff hist +132‎ m Smallworld and Arthor Databases ‎ →‎swbb.docking.org: asdf
18:1318:13, 16 December 2022 diff hist +5‎ m Smallworld and Arthor Databases ‎ →‎swc.docking.org: asdf
18:1218:12, 16 December 2022 diff hist +8‎ m Smallworld and Arthor Databases ‎ →‎swc.docking.org: asdf
18:1218:12, 16 December 2022 diff hist +154‎ m Smallworld and Arthor Databases ‎ →‎swp.docking.org: asdf
18:1018:10, 16 December 2022 diff hist +738‎ m Smallworld and Arthor Databases ‎ →‎sw.docking.org: asdf

00:3500:35, 15 December 2022 diff hist +289‎ Nm User talk:Muhammad shofi ‎ Welcome! current
00:3500:35, 15 December 2022 diff hist +41‎ Nm User:Muhammad shofi ‎ Creating user page for new user. current
00:3500:35, 15 December 2022 diff hist +289‎ Nm User talk:Fconsoli ‎ Welcome! current
00:3500:35, 15 December 2022 diff hist +107‎ Nm User:Fconsoli ‎ Creating user page for new user. current

23:3723:37, 2 November 2022 diff hist −30‎ m DOCK 3.8:How to install pydock3 ‎ →‎to install on a new modern computer: asdf current
23:2823:28, 2 November 2022 diff hist +21‎ m How to install DOCK 3.8 ‎ sdsfg

20:5720:57, 28 September 2022 diff hist +389‎ m ZINC22:Numbering ‎ asdf current
20:5320:53, 28 September 2022 diff hist +492‎ m ZINC22:Numbering ‎ asdf
19:4319:43, 28 September 2022 diff hist +97‎ m ZINC22:Numbering ‎ asdf
18:0518:05, 28 September 2022 diff hist −4‎ m ZINC22:Numbering ‎ asdf
18:0418:04, 28 September 2022 diff hist +183‎ m ZINC22:Numbering ‎ asdf
17:5017:50, 28 September 2022 diff hist +56‎ N ZINC22:Numbering ‎ asdf

23:1723:17, 16 September 2022 diff hist +3‎ m DOCK3.8:Pydock3 ‎ →‎Wynton: asdf
22:2022:20, 16 September 2022 diff hist +9‎ m DOCK 3.8:How to install pydock3 ‎ asdf
22:1122:11, 16 September 2022 diff hist −9‎ m DOCK 3.8:How to install pydock3 ‎ asdf
22:0922:09, 16 September 2022 diff hist +12‎ m DOCK3.8:Pydock3 ‎ asdf
22:0922:09, 16 September 2022 diff hist +139‎ m DOCK3.8:Pydock3 ‎ asdf
22:0822:08, 16 September 2022 diff hist 0‎ m DOCK3.8:Pydock3 ‎ asdf
22:0722:07, 16 September 2022 diff hist +2‎ m DOCK Blaster ‎ asdf current
22:0722:07, 16 September 2022 diff hist +2‎ m DOCK Blaster ‎ asdf
22:0622:06, 16 September 2022 diff hist +41‎ m DOCK Blaster ‎ asdf
22:0622:06, 16 September 2022 diff hist −3‎ m DOCK Blaster ‎ asdf
22:0522:05, 16 September 2022 diff hist +8‎ m DOCK Blaster ‎ asdf

23:2323:23, 14 September 2022 diff hist +289‎ N Programming DOCK 3.8 ‎ asdf current
23:2123:21, 14 September 2022 diff hist +347‎ m DOCK 3.8 ‎ asdf
23:1923:19, 14 September 2022 diff hist +439‎ m DOCK 3.8:How to install pydock3 ‎ asdf
23:1523:15, 14 September 2022 diff hist +138‎ m DOCK3.8:Pydock3 ‎ sdfg
23:1423:14, 14 September 2022 diff hist +64‎ m Category:DOCK Blaster ‎ asdf current
23:1323:13, 14 September 2022 diff hist +22‎ m DOCK Blaster ‎ asdf
23:1323:13, 14 September 2022 diff hist +45‎ m DOCK Blaster ‎ asdf
23:1223:12, 14 September 2022 diff hist −2‎ m DOCK Blaster ‎ asdf
23:1123:11, 14 September 2022 diff hist +952‎ m DOCK Blaster ‎ asdf Tag: Removed redirect
21:4621:46, 14 September 2022 diff hist +205‎ m AWS:Upload files for docking ‎ asdf
21:3021:30, 14 September 2022 diff hist +12‎ m AWS:Set up account ‎ asdf
21:3021:30, 14 September 2022 diff hist −9‎ m AWS:Set up account ‎ asdf
21:3021:30, 14 September 2022 diff hist 0‎ m AWS:Merge and download results ‎ asdf current
21:2921:29, 14 September 2022 diff hist +1,390‎ N AWS:Cleanup ‎ asdf current
21:2321:23, 14 September 2022 diff hist +125‎ m AWS:Merge and download results ‎ asdf
21:2221:22, 14 September 2022 diff hist +45‎ m AWS:Submit docking job ‎ asdf
21:2121:21, 14 September 2022 diff hist +124‎ m AWS:Upload files for docking ‎ asdf
21:2021:20, 14 September 2022 diff hist +17‎ N Category:Tutorial ‎ asd current
20:4220:42, 14 September 2022 diff hist +65‎ m AWS:Set up account ‎ asdf
20:4120:41, 14 September 2022 diff hist +44‎ N Docking Analysis On AWS ‎ Frodo moved page Docking Analysis On AWS to AWS:Merge and download results: clarity current Tag: New redirect
20:4120:41, 14 September 2022 diff hist 0‎ m AWS:Merge and download results ‎ Frodo moved page Docking Analysis On AWS to AWS:Merge and download results: clarity
20:4020:40, 14 September 2022 diff hist +3‎ m AWS:Set up account ‎ asdf
20:3920:39, 14 September 2022 diff hist +21‎ m AWS:Upload files for docking ‎ asdf
20:3920:39, 14 September 2022 diff hist +36‎ N Docking Submission On AWS ‎ Frodo moved page Docking Submission On AWS to AWS:Submit docking job: clarity current Tag: New redirect
20:3920:39, 14 September 2022 diff hist 0‎ m AWS:Submit docking job ‎ Frodo moved page Docking Submission On AWS to AWS:Submit docking job: clarity
20:3820:38, 14 September 2022 diff hist +32‎ N AWS DOCK Environment Setup ‎ Frodo moved page AWS DOCK Environment Setup to AWS:Set up account: clarify current Tag: New redirect
20:3820:38, 14 September 2022 diff hist 0‎ m AWS:Set up account ‎ Frodo moved page AWS DOCK Environment Setup to AWS:Set up account: clarify
20:3720:37, 14 September 2022 diff hist +55‎ m AWS:Set up account ‎ asdf
20:3620:36, 14 September 2022 diff hist +4,584‎ N AWS:Upload files for docking ‎ asdf
20:3520:35, 14 September 2022 diff hist −4,465‎ m AWS:Submit docking job ‎ asdf
17:0217:02, 14 September 2022 diff hist +41‎ m AWS:Merge and download results ‎ asdf
17:0117:01, 14 September 2022 diff hist +41‎ m AWS:Submit docking job ‎ asdf
17:0017:00, 14 September 2022 diff hist +41‎ m AWS:Set up account ‎ asdf

22:2622:26, 13 September 2022 diff hist +18‎ m AWS:Track costs ‎ asdf current
22:2522:25, 13 September 2022 diff hist +714‎ N AWS:Track costs ‎ asdf

19:5319:53, 12 September 2022 diff hist +208‎ N DOCK 3.8:How to build a release ‎ asdf
19:5019:50, 12 September 2022 diff hist +12‎ m DOCK 3.8 ‎ asdf
19:4819:48, 12 September 2022 diff hist +23‎ m DOCK 3.8:How to install pydock3 ‎ asdf
19:4619:46, 12 September 2022 diff hist +9‎ m DOCK3.8:Pydock3 ‎ →‎Installation: asdf
19:4619:46, 12 September 2022 diff hist +45‎ N How to install pydock3 ‎ Frodo moved page How to install pydock3 to DOCK 3.8:How to install pydock3: package convention current Tag: New redirect
19:4619:46, 12 September 2022 diff hist 0‎ m DOCK 3.8:How to install pydock3 ‎ Frodo moved page How to install pydock3 to DOCK 3.8:How to install pydock3: package convention
19:4519:45, 12 September 2022 diff hist +50‎ DOCK3.8:Pydock3 ‎ asdf
19:4519:45, 12 September 2022 diff hist +29‎ N Pydock3 ‎ Frodo moved page Pydock3 to DOCK3.8:Pydock3: package naming convention current Tag: New redirect
19:4519:45, 12 September 2022 diff hist 0‎ m DOCK3.8:Pydock3 ‎ Frodo moved page Pydock3 to DOCK3.8:Pydock3: package naming convention

17:3017:30, 6 September 2022 diff hist +289‎ Nm User talk:Cbedart ‎ Welcome! current
17:3017:30, 6 September 2022 diff hist +119‎ Nm User:Cbedart ‎ Creating user page for new user. current

19:0119:01, 1 September 2022 diff hist +1,256‎ N DOCK38:Job configuration ‎ asdf current

17:4817:48, 31 August 2022 diff hist −2‎ m How to install DOCK 3.8 ‎ asd
17:4817:48, 31 August 2022 diff hist +24‎ m How to install DOCK 3.8 ‎ asdf
17:4817:48, 31 August 2022 diff hist +24‎ m How to install DOCK 3.8 ‎ asd
17:4817:48, 31 August 2022 diff hist +239‎ m How to install DOCK 3.8 ‎ asd

18:0918:09, 30 August 2022 diff hist +573‎ N Copy protect in google docs ‎ asdf current

19:3519:35, 29 August 2022 diff hist +137‎ m ABBB ‎ asdf
19:3019:30, 29 August 2022 diff hist +224‎ m Bioisosteres ‎ A current
19:2519:25, 29 August 2022 diff hist +251‎ N CC:Arthor ‎ asdf current
19:2419:24, 29 August 2022 diff hist +242‎ N CC:Smallworld ‎ asdf current
19:1019:10, 29 August 2022 diff hist 0‎ m CC:Library preparation ‎ asdf current
19:1019:10, 29 August 2022 diff hist +32‎ m CC:Library preparation ‎ asdf
19:0919:09, 29 August 2022 diff hist +5‎ m CC:Library preparation ‎ asdf
19:0319:03, 29 August 2022 diff hist +832‎ N CC:Library preparation ‎ asdf
18:5918:59, 29 August 2022 diff hist +413‎ Chemistry commons ‎ asdf

20:5720:57, 22 August 2022 diff hist +603‎ m DOCK 3.8 ‎ asdf

16:1916:19, 19 August 2022 diff hist +287‎ Nm User talk:Wyujin ‎ Welcome! current
16:1916:19, 19 August 2022 diff hist +232‎ Nm User:Wyujin ‎ Creating user page for new user. current
16:1716:17, 19 August 2022 diff hist +287‎ Nm User talk:Sooikchae ‎ Welcome! current
16:1716:17, 19 August 2022 diff hist +66‎ Nm User:Sooikchae ‎ Creating user page for new user. current
16:1716:17, 19 August 2022 diff hist +287‎ Nm User talk:Jjgutierrez6 ‎ Welcome! current
16:1716:17, 19 August 2022 diff hist +53‎ Nm User:Jjgutierrez6 ‎ Creating user page for new user. current

00:1600:16, 18 August 2022 diff hist +302‎ N TLDR:Library Enumeration ‎ asdf current
00:1500:15, 18 August 2022 diff hist +942‎ N AB3 ‎ asdf

18:5818:58, 9 August 2022 diff hist +1,507‎ N AWS:Upload docking files to aws ‎ asd current
18:5218:52, 9 August 2022 diff hist +988‎ m ZINC-22:Select chemical space for docking ‎ asdf current
18:5018:50, 9 August 2022 diff hist +993‎ N ZINC-22:Select chemical space for docking ‎ asdf
18:4318:43, 9 August 2022 diff hist +820‎ m Preparing dockfiles using TLDR ‎ →‎step 1. Download sample data: asdf current
16:4116:41, 9 August 2022 diff hist +21‎ m Category:AWS ‎ asdf current
16:4016:40, 9 August 2022 diff hist +81‎ N Category:Cloud ‎ Created page with "This is where we organize main organizing articles about using DOCK in the Cloud." current
16:4016:40, 9 August 2022 diff hist +122‎ N Category:OCI ‎ asdf current
16:3916:39, 9 August 2022 diff hist +19‎ m OCI Slurm Autoscaling ‎ asdf current
16:3816:38, 9 August 2022 diff hist +19‎ m Using AWS Setup For Cloud Computation ‎ asdf current
16:3716:37, 9 August 2022 diff hist +413‎ N Preparing dockfiles using TLDR ‎ asdf

19:5619:56, 7 August 2022 diff hist +286‎ Nm User talk:HusseinAli ‎ Welcome! current
19:5619:56, 7 August 2022 diff hist +39‎ Nm User:HusseinAli ‎ Creating user page for new user. current
19:5619:56, 7 August 2022 diff hist +286‎ Nm User talk:Cangfeng ‎ Welcome! current
19:5619:56, 7 August 2022 diff hist +36‎ Nm User:Cangfeng ‎ Creating user page for new user. current
19:5619:56, 7 August 2022 diff hist +286‎ Nm User talk:E.zeqiraj ‎ Welcome! current
19:5619:56, 7 August 2022 diff hist +55‎ Nm User:E.zeqiraj ‎ Creating user page for new user. current
19:5619:56, 7 August 2022 diff hist +286‎ Nm User talk:S1giard ‎ Welcome! current
19:5619:56, 7 August 2022 diff hist +54‎ Nm User:S1giard ‎ Creating user page for new user. current
19:5119:51, 7 August 2022 diff hist −63‎ m ZINC22:Directory structure ‎ asdfqerw current
19:5019:50, 7 August 2022 diff hist +1,148‎ N ZINC22:Directory structure ‎ asdf
19:3519:35, 7 August 2022 diff hist +31‎ N UCSF License ‎ Frodo moved page UCSF License to UCSF ZINC License: fix the name current Tag: New redirect
19:3519:35, 7 August 2022 diff hist 0‎ m UCSF ZINC License ‎ Frodo moved page UCSF License to UCSF ZINC License: fix the name current
19:2019:20, 7 August 2022 diff hist +1,173‎ N UCSF ZINC License ‎ asfd

21:1021:10, 3 August 2022 diff hist +18‎ m How to download zinc-22 using rsync ‎ asdf current
21:1021:10, 3 August 2022 diff hist +280‎ m How to download zinc-22 using rsync ‎ sdf

20:0920:09, 28 July 2022 diff hist +168‎ N Category:TLDR ‎ asdf current
18:5618:56, 28 July 2022 diff hist +4‎ m TLDR:arthorbatch ‎ asdf
18:5618:56, 28 July 2022 diff hist −2‎ m TLDR:arthorbatch ‎ →‎Run substructure or SMARTS pattern searches using Arthor in batch mode.: asdf
18:5518:55, 28 July 2022 diff hist +1,037‎ N TLDR:arthorbatch ‎ asdf

19:1019:10, 17 June 2022 diff hist +30‎ m Curation of ZINC-22 3D ‎ →‎color coding: asdf current
19:0919:09, 17 June 2022 diff hist +1‎ Curation of ZINC-22 3D ‎ →‎Once per day - 10 mins?: asdf
19:0119:01, 17 June 2022 diff hist +33‎ m Curation of ZINC-22 3D ‎ →‎Once per day - 10 mins?: asdf
18:5918:59, 17 June 2022 diff hist +46‎ m Curation of ZINC-22 3D ‎ →‎Once per day - 10 mins?: asdf
18:3518:35, 17 June 2022 diff hist +64‎ m Curation of ZINC-22 3D ‎ asdf
18:3418:34, 17 June 2022 diff hist +285‎ Nm User talk:Siswandono ‎ Welcome! current
18:3418:34, 17 June 2022 diff hist +313‎ Nm User:Siswandono ‎ Creating user page for new user. current
18:1418:14, 17 June 2022 diff hist +1,395‎ N Curation of ZINC-22 3D ‎ asdf

17:2117:21, 21 May 2022 diff hist +1,060‎ N ABBBR ‎ abc current

17:2917:29, 19 May 2022 diff hist +284‎ Nm User talk:Mtsukanov ‎ Welcome! current
17:2917:29, 19 May 2022 diff hist +398‎ Nm User:Mtsukanov ‎ Creating user page for new user. current

18:1418:14, 3 May 2022 diff hist +283‎ Nm User talk:We prasetyo ‎ Welcome! current
18:1418:14, 3 May 2022 diff hist +279‎ Nm User:We prasetyo ‎ Creating user page for new user. current
18:1418:14, 3 May 2022 diff hist +283‎ Nm User talk:Deepa ‎ Welcome! current
18:1418:14, 3 May 2022 diff hist +151‎ Nm User:Deepa ‎ Creating user page for new user. current
18:1418:14, 3 May 2022 diff hist +283‎ Nm User talk:Emdormi ‎ Welcome! current
18:1418:14, 3 May 2022 diff hist +146‎ Nm User:Emdormi ‎ Creating user page for new user. current

21:3721:37, 7 April 2022 diff hist +77‎ m Methods section ‎ asdf current
19:1819:18, 7 April 2022 diff hist +2,251‎ N Methods section ‎ asdf

21:4221:42, 6 April 2022 diff hist +56‎ m Major themes of this website ‎ →‎Other: asdf current

20:0420:04, 30 March 2022 diff hist +521‎ m Major themes of this website ‎ asdf
19:5919:59, 30 March 2022 diff hist +286‎ Nm User talk:OsTrade Chemical Co ‎ Welcome! current
19:5919:59, 30 March 2022 diff hist +57‎ Nm User:OsTrade Chemical Co ‎ Creating user page for new user. current
19:5719:57, 30 March 2022 diff hist +286‎ Nm User talk:Gbigbi ‎ Welcome! current
19:5719:57, 30 March 2022 diff hist +53‎ Nm User:Gbigbi ‎ Creating user page for new user. current
19:5719:57, 30 March 2022 diff hist +286‎ Nm User talk:Z1109615733 ‎ Welcome! current
19:5719:57, 30 March 2022 diff hist +68‎ Nm User:Z1109615733 ‎ Creating user page for new user. current

15:5315:53, 28 March 2022 diff hist +13‎ m Group Meeting ‎ →‎Rotation Order: asdf

23:5223:52, 15 March 2022 diff hist +1,172‎ N Major themes of this website ‎ asdf
22:2222:22, 15 March 2022 diff hist +755‎ N How to install DOCK 3.8 ‎ asdf
22:2222:22, 15 March 2022 diff hist −705‎ m How to dock in DOCK3.8 ‎ asdf
22:2122:21, 15 March 2022 diff hist +22‎ m DOCK 3.8 ‎ asdf
22:2022:20, 15 March 2022 diff hist +33‎ N ZINC 3D Building ‎ Frodo moved page ZINC 3D Building to ZINC-22:3D Building: rationalize naming current Tag: New redirect
22:2022:20, 15 March 2022 diff hist 0‎ m ZINC-22:3D Building ‎ Frodo moved page ZINC 3D Building to ZINC-22:3D Building: rationalize naming
22:2022:20, 15 March 2022 diff hist +43‎ m ZINC-22:3D Building ‎ asdf
22:1822:18, 15 March 2022 diff hist +25‎ m Docking Analysis in DOCK3.8 ‎ asdf
22:1722:17, 15 March 2022 diff hist +24‎ m How to dock in DOCK3.8 ‎ asdf
22:1722:17, 15 March 2022 diff hist −8‎ DOCK 3.8 ‎ asdf
22:1622:16, 15 March 2022 diff hist −4‎ m DOCK 3.8 ‎ asdf
22:1522:15, 15 March 2022 diff hist +145‎ m DOCK 3.8 ‎ asdf
20:2020:20, 15 March 2022 diff hist +287‎ N Machine reponsibilities ‎ asdf current
18:1818:18, 15 March 2022 diff hist +12‎ m AWS:Set up account ‎ →‎Running with Linux/Mac: asdf
17:3517:35, 15 March 2022 diff hist +58‎ N Category:Blastermaster2.0 ‎ asdf current

18:1018:10, 10 March 2022 diff hist +144‎ m Chemistry commons ‎ asdf

22:4722:47, 9 March 2022 diff hist +767‎ N How to download zinc-22 using rsync ‎ asdf
19:1819:18, 9 March 2022 diff hist +100‎ N Category:Commons ‎ asdf current
19:1619:16, 9 March 2022 diff hist +1,200‎ m Chemistry commons ‎ asdf
19:0719:07, 9 March 2022 diff hist +67‎ m Chemistry commons ‎ asdf
18:5718:57, 9 March 2022 diff hist +345‎ N Chemistry commons ‎ asdf

22:0922:09, 8 March 2022 diff hist +39‎ m TLDR ‎ asdf

15:2915:29, 5 March 2022 diff hist +113‎ m ZINC-22 news of Mar-22 ‎ asdf current
15:2715:27, 5 March 2022 diff hist +80‎ N ZINC-22 news of Mar-22 ‎ asdf

23:0623:06, 4 March 2022 diff hist +24‎ m Blastermaster2.0 ‎ asdf
23:0123:01, 4 March 2022 diff hist +46‎ m Blastermaster2.0 ‎ asdf
21:5721:57, 4 March 2022 diff hist +423‎ m Blastermaster2.0 ‎ asdf
21:2521:25, 4 March 2022 diff hist +134‎ m Blastermaster2.0 ‎ asdf
21:1721:17, 4 March 2022 diff hist +375‎ N Blastermaster2.0 ‎ asdf

16:2616:26, 3 March 2022 diff hist +285‎ Nm User talk:Limcaocao ‎ Welcome! current
16:2616:26, 3 March 2022 diff hist +86‎ Nm User:Limcaocao ‎ Creating user page for new user. current

01:3901:39, 24 February 2022 diff hist +74‎ m ZINC-22:Revision of Feb 23 ‎ asdf current

23:3923:39, 23 February 2022 diff hist +195‎ m OCI:install client locally ‎ asd current
17:1917:19, 23 February 2022 diff hist +6‎ m ZINC-22:Revision of Feb 23 ‎ asdf
17:1917:19, 23 February 2022 diff hist +169‎ m ZINC-22 news of Feb-22 ‎ sdf current
17:1817:18, 23 February 2022 diff hist +1,080‎ N ZINC-22:Revision of Feb 23 ‎ asdf

00:3200:32, 16 February 2022 diff hist +289‎ Nm User talk:Ianscottknight ‎ Welcome! current
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18:5118:51, 15 February 2022 diff hist +284‎ m OCI:install client locally ‎ asdf
18:4918:49, 15 February 2022 diff hist +385‎ N OCI:install client locally ‎ asdf

17:1017:10, 2 February 2022 diff hist +160‎ m ZINC-22 news of Jan-22 ‎ asd current
17:0817:08, 2 February 2022 diff hist −164‎ m ZINC-22 news of Jan-22 ‎ asdf

18:2318:23, 1 February 2022 diff hist +218‎ m ZINC-22 news of Feb-22 ‎ asd
17:3517:35, 1 February 2022 diff hist +315‎ m ZINC-22 news of Feb-22 ‎ 34
17:3317:33, 1 February 2022 diff hist +28‎ m ZINC-22 news of Feb-22 ‎ asdf
17:3217:32, 1 February 2022 diff hist +58‎ N ZINC-22 news of Feb-22 ‎ asdf
17:3117:31, 1 February 2022 diff hist −33‎ m ZINC-22 news of Jan-22 ‎ asd
17:2917:29, 1 February 2022 diff hist +1‎ m ZINC-22 news of Jan-22 ‎ asdf
17:2917:29, 1 February 2022 diff hist +7‎ m ZINC-22 news of Jan-22 ‎ asdf
17:2817:28, 1 February 2022 diff hist +189‎ m ZINC-22 news of Jan-22 ‎ asdf
17:2617:26, 1 February 2022 diff hist +119‎ m ZINC-22 news of Jan-22 ‎ asdf
17:1817:18, 1 February 2022 diff hist +92‎ m ZINC-22 Clean Up in Jan 2022 ‎ asdf current
17:1717:17, 1 February 2022 diff hist +27‎ m ZINC-22 Clean Up in Jan 2022 ‎ sdf
17:1617:16, 1 February 2022 diff hist +8‎ m ZINC-22 news of Jan-22 ‎ asdf
17:1517:15, 1 February 2022 diff hist +27‎ m ZINC-22:One time rearrangement Jan 25 2022 ‎ asdf current
17:1417:14, 1 February 2022 diff hist +55‎ N Category:ZINC-22-news ‎ asdf current
17:1317:13, 1 February 2022 diff hist +27‎ m ZINC-22:Revision of Feb 1 2022 ‎ asdf current
17:1217:12, 1 February 2022 diff hist +495‎ N ZINC-22:Revision of Feb 1 2022 ‎ asdf

01:5701:57, 26 January 2022 diff hist +1,604‎ N ZINC-22:One time rearrangement Jan 25 2022 ‎ asdf

19:2919:29, 12 January 2022 diff hist +1,060‎ N ZINC-22 news of Jan-22 ‎ asdf
18:3218:32, 12 January 2022 diff hist +328‎ m ZINC-22 Clean Up in Jan 2022 ‎ asdf

19:4719:47, 7 January 2022 diff hist +287‎ Nm User talk:Rajesh ‎ Welcome! current
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05:2205:22, 7 January 2022 diff hist +66‎ m ZINC-22 Clean Up in Jan 2022 ‎ dfgh

17:4417:44, 5 January 2022 diff hist +278‎ m ZINC-22 Clean Up in Jan 2022 ‎ update Jan 5
01:0401:04, 5 January 2022 diff hist +123‎ m ZINC-22 Clean Up in Jan 2022 ‎ asdf
01:0101:01, 5 January 2022 diff hist −201‎ m ZINC-22 Clean Up in Jan 2022 ‎ Update

19:4619:46, 4 January 2022 diff hist +1,515‎ N ZINC-22 Clean Up in Jan 2022 ‎ Provisional description of major changes in the ZINC-22 database.

22:4822:48, 27 October 2021 diff hist +288‎ Nm User talk:Jk ‎ Welcome! current
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15:2315:23, 17 August 2021 diff hist +287‎ Nm User talk:Lma ‎ Welcome! current
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20:5420:54, 30 July 2021 diff hist +285‎ Nm User talk:Sevigneron ‎ Welcome! current
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21:2921:29, 29 July 2021 diff hist +602‎ N Unpack-repack ‎ adsf current

16:1116:11, 27 July 2021 diff hist +658‎ N Curating AMIS ‎ asdf current

18:3418:34, 26 July 2021 diff hist +285‎ Nm User talk:LAJ76082 ‎ Welcome! current
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22:0422:04, 21 June 2021 diff hist +61‎ m Zinc15 to zinc20 transition ‎ asdf current
22:0222:02, 21 June 2021 diff hist +42‎ m Zinc15 to zinc20 transition ‎ asdf
22:0122:01, 21 June 2021 diff hist +1‎ Zinc15 to zinc20 transition ‎ asdf
22:0122:01, 21 June 2021 diff hist +711‎ N Zinc15 to zinc20 transition ‎ asdf

16:4516:45, 1 June 2021 diff hist +284‎ Nm User talk:Gejackson ‎ Welcome! current
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22:5722:57, 18 May 2021 diff hist +235‎ N ZINC-22-Growth ‎ asdf current

23:2023:20, 3 May 2021 diff hist +70‎ Official file locations ‎ asdf current
22:4022:40, 3 May 2021 diff hist −79‎ Official file locations ‎ asdf
22:2522:25, 3 May 2021 diff hist +910‎ Official file locations ‎ asdf
18:2618:26, 3 May 2021 diff hist +715‎ m DOCK 3.8 ‎ asdf
18:2218:22, 3 May 2021 diff hist +34‎ DOCK 3.8 ‎ asdf
18:2018:20, 3 May 2021 diff hist +11‎ Category:Docking ‎ asdf current
17:5217:52, 3 May 2021 diff hist +3‎ DOCK 6.7 ‎ asdf current
17:5117:51, 3 May 2021 diff hist +82‎ N DOCK 6.9 ‎ asdf current
17:5017:50, 3 May 2021 diff hist −338‎ Category:Docking ‎ asdf
17:4617:46, 3 May 2021 diff hist −274‎ Main Page ‎ →‎Do you have a question?: asdf
17:4417:44, 3 May 2021 diff hist −295‎ Main Page ‎ →‎Why are you here?: asdf
17:4217:42, 3 May 2021 diff hist +41‎ User:Frodo ‎ asdf current
17:4217:42, 3 May 2021 diff hist −40‎ Main Page ‎ →‎Who are you?: asdf
17:4117:41, 3 May 2021 diff hist −29‎ Main Page ‎ →‎Who are you?: asdf

05:5305:53, 19 April 2021 diff hist +388‎ N Create an aws ec2 image ‎ asdf current

17:2317:23, 13 April 2021 diff hist +231‎ N Build new dock64 docker image ‎ asdf current

23:5323:53, 25 March 2021 diff hist +2‎ Slurm ‎ asdf
22:1922:19, 25 March 2021 diff hist +733‎ Selecting tranches in ZINC22 ‎ asdf current
20:0620:06, 25 March 2021 diff hist +288‎ Selecting tranches in ZINC22 ‎ asdf
20:0120:01, 25 March 2021 diff hist +1,080‎ N Selecting tranches in ZINC22 ‎ asdf

20:2320:23, 15 March 2021 diff hist +288‎ Nm User talk:Nandkishor Bavage ‎ Welcome! current
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20:2720:27, 3 March 2021 diff hist +287‎ Nm User talk:Mohammad Mazharol Hoque ‎ Welcome! current
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20:2720:27, 19 February 2021 diff hist +460‎ N ZINC22:Current status ‎ asdf current
20:2320:23, 19 February 2021 diff hist +78‎ m How to dock in DOCK3.8 ‎ →‎Example: Running a lot of docking jobs: asdf
20:2220:22, 19 February 2021 diff hist +251‎ m How to dock in DOCK3.8 ‎ →‎Differences from DOCK.3.7

21:5021:50, 8 February 2021 diff hist +45‎ m ZINC22:Singularity ‎ asdf
21:4921:49, 8 February 2021 diff hist +35‎ N Category:DOCK 3.8 ‎ asfd current
21:4921:49, 8 February 2021 diff hist +925‎ N ZINC22:Singularity ‎ asdf

20:5620:56, 2 February 2021 diff hist +105‎ N Control of bkslab.org ‎ asfd current

16:4816:48, 1 February 2021 diff hist +62‎ m Public servers 2021 ‎ asdf current
16:4716:47, 1 February 2021 diff hist +607‎ N Public servers 2021 ‎ asdf

01:1401:14, 29 January 2021 diff hist +59‎ ZINC22:Building 3D ‎ asdf

19:1519:15, 28 January 2021 diff hist −742‎ How to set up a zinc22 docking run ‎ asdf current
19:1319:13, 28 January 2021 diff hist +64‎ ZINC22:Checkin 3D ‎ asdf current
19:1319:13, 28 January 2021 diff hist +54‎ Building The 3D Pipeline ZINC22 ‎ asdf
19:1219:12, 28 January 2021 diff hist +64‎ ZINC22:Checkout ‎ asdf current
19:1219:12, 28 January 2021 diff hist +166‎ ZINC22:Checkout ‎ asdf
19:1019:10, 28 January 2021 diff hist +272‎ How to dock in DOCK3.8 ‎ asf
19:0419:04, 28 January 2021 diff hist +1,100‎ N How to dock in DOCK3.8 ‎ asdf
01:1201:12, 28 January 2021 diff hist +39‎ ZINC22:Building 3D ‎ →‎5. Check 3D back into UCSF Central server
01:1101:11, 28 January 2021 diff hist +4‎ ZINC22:Building 3D ‎ →‎6. Later rise repeat, go back to step 3
01:1001:10, 28 January 2021 diff hist +8‎ m ZINC22:Building 3D ‎ →‎1. Download DOCK.3.8

19:2219:22, 27 January 2021 diff hist +687‎ N ZINC22:Checkin 3D ‎ asdf
19:1619:16, 27 January 2021 diff hist +28‎ ZINC22:Building 3D ‎ →‎5. Check 3D back into UCSF Central server
19:1619:16, 27 January 2021 diff hist +43‎ m ZINC22:Building 3D ‎ →‎3. Check out SMILES from the central server for building
19:1419:14, 27 January 2021 diff hist +1,457‎ N ZINC22:Building 3D ‎ asdf
18:1918:19, 27 January 2021 diff hist +1,771‎ N ZINC22:Checkout ‎ asdf
17:0117:01, 27 January 2021 diff hist +72‎ DOCK:History ‎ →‎Version 3.6 - circa 2010 to present current
17:0017:00, 27 January 2021 diff hist +130‎ DOCK:History ‎ →‎Version 6.9 - circa 2020 - present
16:5916:59, 27 January 2021 diff hist +99‎ DOCK:History ‎ →‎Version 6.5 - circa 2011 - 2012
16:5916:59, 27 January 2021 diff hist +65‎ DOCK:History ‎ →‎Version 6.6 - circa 2012 - 2014
16:5816:58, 27 January 2021 diff hist +394‎ DOCK:History ‎ →‎Version 6.7 - circa 2014 - present
16:5316:53, 27 January 2021 diff hist +180‎ N DOCK 3.8 ‎ asdf
16:5216:52, 27 January 2021 diff hist +729‎ DOCK:History ‎ →‎Version 3.7 - circa 2013 to present

05:4605:46, 19 January 2021 diff hist +340‎ Zinc22 restart wynton ‎ asdf current

21:0421:04, 18 January 2021 diff hist +645‎ N Zinc22 restart wynton ‎ asdf
16:1216:12, 18 January 2021 diff hist +842‎ N How to set up a zinc22 docking run ‎ first version.

18:2618:26, 8 January 2021 diff hist +24‎ Mount smallworld disks ‎ asdf
18:2318:23, 8 January 2021 diff hist +288‎ N Mount smallworld disks ‎ asdf

01:4501:45, 18 December 2020 diff hist +344‎ m ZINC22:Contributors ‎ asd current

23:2023:20, 17 December 2020 diff hist +445‎ ZINC22:Contributors ‎ asdf
23:1623:16, 17 December 2020 diff hist +133‎ ZINC22:Contributors ‎ asdf

01:4001:40, 15 December 2020 diff hist +87‎ N Category:Delete ‎ asdf current
01:3901:39, 15 December 2020 diff hist +110‎ UCSF Strain Filtering ‎ asdf current

22:4022:40, 14 December 2020 diff hist +462‎ N ZINC22:Why ‎ asdf current
22:3822:38, 14 December 2020 diff hist +104‎ N ZINC22:Downloading ‎ asf
22:3722:37, 14 December 2020 diff hist +369‎ N ZINC22:Contributors ‎ asdf
22:3222:32, 14 December 2020 diff hist +1‎ ZINC22:Timeline ‎ asdf current
22:3222:32, 14 December 2020 diff hist +420‎ N ZINC22:Timeline ‎ asdf
22:2922:29, 14 December 2020 diff hist +39‎ N Category:ZINC22 ‎ asd current
22:2822:28, 14 December 2020 diff hist +2,092‎ N Zinc22:Searching ‎ asdf

22:0822:08, 25 November 2020 diff hist +291‎ Nm User talk:Noamteyssier ‎ Welcome! current
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22:5422:54, 24 November 2020 diff hist +291‎ Nm User talk:Ryan ‎ Welcome! current
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02:1502:15, 25 September 2020 diff hist +225‎ N ZINC20:What's New ‎ asdf current
02:1402:14, 25 September 2020 diff hist +34‎ N Category:ZINC20 ‎ asdf current
02:1302:13, 25 September 2020 diff hist +218‎ ZINC20:Getting started ‎ asdf current

16:1316:13, 10 September 2020 diff hist +292‎ Nm User talk:Zjuwga ‎ Welcome! current
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18:3218:32, 2 September 2020 diff hist +291‎ Nm User talk:Iamkaant ‎ Welcome! current
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01:2801:28, 2 September 2020 diff hist −28‎ m Install DOCK 6 ‎ asdf current

20:0320:03, 1 September 2020 diff hist +291‎ Nm User talk:Shabnam h ‎ Welcome! current
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20:2720:27, 28 August 2020 diff hist +33‎ m How to use Globus ‎ →‎Step 3: asdf

23:3723:37, 5 August 2020 diff hist +288‎ Nm User talk:Abdelmohsen80 ‎ Welcome! current
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16:4916:49, 4 August 2020 diff hist −154‎ m Official file locations ‎ asdf
15:0315:03, 4 August 2020 diff hist −19‎ Sea cut sum ‎ asdf current
15:0315:03, 4 August 2020 diff hist +402‎ N Sea cut sum ‎ asdf

23:0523:05, 3 August 2020 diff hist +893‎ N ZINC22:Getting started ‎ aasdf current
22:5922:59, 3 August 2020 diff hist +659‎ N ZINC20:Getting started ‎ asdf

03:5603:56, 24 July 2020 diff hist +400‎ Official file locations ‎ asdf

22:5322:53, 22 July 2020 diff hist +708‎ N Official file locations ‎ first version not ready yet.

20:4020:40, 13 July 2020 diff hist +660‎ ZINC-22:3D Building ‎ asdf

21:4921:49, 10 July 2020 diff hist +287‎ Nm User talk:Farhan ‎ Welcome! current
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22:2122:21, 6 July 2020 diff hist +286‎ Nm User talk:Jgutie11 ‎ Welcome! current
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22:2622:26, 12 June 2020 diff hist +116‎ N ZINC20 ‎ asdf current
18:4318:43, 12 June 2020 diff hist +287‎ Nm User talk:Joelmirluce ‎ Welcome! current
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16:5616:56, 25 May 2020 diff hist +286‎ Nm User talk:DopeyCC ‎ Welcome! current
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18:2918:29, 18 May 2020 diff hist +286‎ Nm User talk:Iluck8 ‎ Welcome! current
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18:3818:38, 21 April 2020 diff hist −1‎ Zfs ‎ →‎Mon Apr 20 2020: asdf

21:3721:37, 20 April 2020 diff hist +954‎ Zfs ‎ →‎Thu Apr 16, 2020: asdf

00:4100:41, 17 April 2020 diff hist +750‎ Zfs ‎ asdf

19:0219:02, 15 April 2020 diff hist +3‎ ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP ‎ →‎Sample Bash script for running on many smiles files: sadf
19:0119:01, 15 April 2020 diff hist +214‎ N Runall.sh ‎ asdf current
19:0019:00, 15 April 2020 diff hist +4‎ m ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP ‎ →‎Sample Bash script for running on many smiles files: asd
16:5816:58, 15 April 2020 diff hist +2,756‎ N Rdkit hlogp batch.py ‎ asdf

22:0722:07, 6 April 2020 diff hist +735‎ N Tin jji ‎ asdf

03:1203:12, 26 March 2020 diff hist +288‎ Nm User talk:Btingle ‎ Welcome! current
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19:2519:25, 19 March 2020 diff hist +926‎ N New it team members ‎ asdf current

20:5220:52, 18 March 2020 diff hist +2,100‎ N Nailgun ‎ capture nailgun info current

21:1421:14, 11 March 2020 diff hist +1,041‎ N Btz ‎ asdf

22:1422:14, 25 January 2020 diff hist −70‎ m Zfs ‎ →‎Sun Jan 19 2020
18:5018:50, 25 January 2020 diff hist +290‎ Nm User talk:Sonali Taple ‎ Welcome! current
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18:5218:52, 19 January 2020 diff hist +711‎ m Zfs ‎ jan 19 changes

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22:5822:58, 6 January 2020 diff hist +289‎ Nm User talk:Bbender ‎ Welcome! current
22:5822:58, 6 January 2020 diff hist +375‎ Nm User:Bbender ‎ Creating user page for new user. current
22:5822:58, 6 January 2020 diff hist +289‎ Nm User talk:Jwagsta ‎ Welcome! current
22:5822:58, 6 January 2020 diff hist +384‎ Nm User:Jwagsta ‎ Creating user page for new user. current

21:2721:27, 16 December 2019 diff hist +714‎ N Tomcat on n-1-136 ‎ asdf current

22:5022:50, 6 December 2019 diff hist +290‎ Nm User talk:Sdjflep ‎ Welcome! current
22:5022:50, 6 December 2019 diff hist +270‎ Nm User:Sdjflep ‎ Creating user page for new user. current
22:5022:50, 6 December 2019 diff hist +290‎ Nm User talk:Dmierke ‎ Welcome! current
22:5022:50, 6 December 2019 diff hist +1,475‎ Nm User:Dmierke ‎ Creating user page for new user. current

18:0518:05, 20 November 2019 diff hist 0‎ Queues ‎ asd current
18:0418:04, 20 November 2019 diff hist 0‎ Queues ‎ asdf
18:0318:03, 20 November 2019 diff hist +46‎ Queues ‎ saf
17:5817:58, 20 November 2019 diff hist +47‎ Queues ‎ asdf

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