User contributions for Frodo

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14 February 2014

13 February 2014

12 February 2014

30 January 2014

  • 17:1717:17, 30 January 2014 diff hist +166‎ N Disk full ‎ Created page with "if the disk is full, here is how you find out who the major culprits are (example here is /raid1) sudo /usr/sbin/repquota /raid1 | sort -nk3 [{Category:Internal]]"

29 January 2014

  • 20:4520:45, 29 January 2014 diff hist +862‎ N Get ZINC under program control ‎ Created page with "More things to not forget <pre> teague:~$ wget -q --post-file smiles-to-lookup.smi "http://zinc.uoft.bkslab.org:8080/inchi -O- ZINC01586379 ZINC00000053 ZINC15202372 teague:..."
  • 20:4320:43, 29 January 2014 diff hist +825‎ N Ring SQL query ‎ Created page with "From his bestseller, 101 things to not forget <pre> This just came out of some debugging. Thought you may be interested. It will return the number of occurrences of a particu..."
  • 20:4020:40, 29 January 2014 diff hist +1,700‎ N Cassidy clustering ‎ Created page with "These are notes to myself from Teague/Cassidy for the new cluster. [[Category::Internal]] I've written some code to generate Daylight-like fingerprints (Base-64) from the ..."

27 January 2014

22 January 2014

15 January 2014

  • 19:4319:43, 15 January 2014 diff hist +797‎ N Zinc exact lookup by http ‎ Created page with "New ZINC lookup features wget -q --post-file smiles-to-lookup.smi "http://zinc.uoft.bkslab.org:8080/inchi -O- ZINC01586379 ZINC00000053 ZINC15202372 wget -q --post-file..."

10 January 2014

9 January 2014

9 December 2013

12 November 2013

  • 19:4219:42, 12 November 2013 diff hist +1,009‎ N Metabolites databases ‎ Created page with "There are two three kinds of metabolite docking databases at docking.org, and from each type, there are multiple actual databases. *NB this work is still in progress* = Gr..."

11 November 2013

6 November 2013

4 November 2013

2 November 2013

1 November 2013

  • 23:4723:47, 1 November 2013 diff hist +763‎ N ZINC api ‎ Created page with "Here we explain how to access ZINC via an application programming interface (api) Please note that this is for zinc13 and beyond that is based on rdkit and psql. Previously,..."

31 October 2013

22 August 2013

  • 18:1518:15, 22 August 2013 diff hist 0‎ Tool1 ‎No edit summary
  • 18:1518:15, 22 August 2013 diff hist +600‎ N Tool1 ‎ Created page with "= Tool2 aka SEAvis = = Question = What compounds contribute most to the SEA score between any two targets? = Approach = We have a tool (contact John for details). * Sp..."
  • 18:1118:11, 22 August 2013 diff hist +1,932‎ N Tool2 ‎ Created page with " = Question = What is the most similar compound from any one catalog to my molecule? This could be any single catalog in ZINC. Currently you must specify the short name of t..."

21 August 2013

14 August 2013

24 July 2013

16 July 2013

15 July 2013

10 July 2013

4 July 2013

  • 17:0717:07, 4 July 2013 diff hist +724‎ N ZINC via curl ‎ Created page with "You can query ZINC using curl as follows: = Download all the IDs in a file = curl -s --data-urlencode zinc.ids="$( cat test.list )" -d page.format=properties http://zinc...."
  • 17:0217:02, 4 July 2013 diff hist +657‎ N Micromedex ‎ Created page with "= Micromedex = We have access to Micromedex. * Micromedex® Drug Information – free to everyone, no password required. * Micromedex® Drug Interactions – free to U of ..."

26 May 2013

19 April 2013

17 April 2013

8 April 2013

  • 14:3714:37, 8 April 2013 diff hist +409‎ N Template:Main other ‎ Created page with "{{#switch: <!--If no or empty "demospace" parameter then detect namespace--> {{#if:{{{demospace|}}} | {{lc: {{{demospace}}} }} <!--Use lower case "demospace"--> | ..." current

6 April 2013

5 April 2013

27 March 2013

27 February 2013

25 February 2013

22 February 2013

20 February 2013

  • 23:2823:28, 20 February 2013 diff hist +711‎ N ZINC Biogenic Libraries ‎ Created page with "The ZINC Natural Product Like library is a collection of commercially available compounds that are natural products, strongly ressemble natural products, or have signifcant su..."

18 February 2013

12 February 2013

28 January 2013

23 January 2013

22 January 2013

  • 01:5401:54, 22 January 2013 diff hist +1,622‎ N Welcome group members ‎ Created page with "Welcome to the lab. This page is designed for new group members, our collaborators and anyone else who wishes to access our cluster via ssh. = Obtaining credentials = Please..."
  • 01:4001:40, 22 January 2013 diff hist +1,242‎ N Welcome web user ‎ Created page with "Welcome to the BKSLAB server. We offer the following: = Services = * 1. Public websites: ZINC, DOCK Blaster, SEA, DUD/DUDE, Advisor. BKSLAB home page. * 2. Software to down..."

20 January 2013

16 January 2013

2 December 2012

21 November 2012

18 November 2012

23 October 2012

22 October 2012

21 October 2012

19 October 2012

18 October 2012

  • 21:4021:40, 18 October 2012 diff hist +723‎ Customize shell ‎No edit summary
  • 21:3021:30, 18 October 2012 diff hist +1,372‎ N Customize shell ‎ Created page with "How to customize .cshrc There are four parts: 1) set up a custom DOCK_BASE, SOFT if required 2) set up standard shell variables (vars.csh) 3) custom paths, environment 4) def..."
  • 21:2321:23, 18 October 2012 diff hist +757‎ N Checkout dockenv ‎ Created page with "= How to check out and set up dockenv. = cd mkdir -p code cd code svn co file:///raid4/svn/dockenv/trunk dockenv cd ln -s code/dockenv dockenv Then edit .cshrc and add..."
  • 21:1421:14, 18 October 2012 diff hist +127‎ N Sysadmin ‎ Created page with "The current sysadmins are Teague Sterling, Therese Demers and John Irwin. You can write them all at sysadmins (at) docking.org."

15 October 2012

12 October 2012

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