User contributions for Frodo

29 January 2014

• 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

• 19:3319:33, 27 January 2014 diff hist +491‎ Github ‎No edit summary
• 19:3019:30, 27 January 2014 diff hist +240‎ Nm User talk:Sedigheh ‎ Welcome! current
• 19:3019:30, 27 January 2014 diff hist +16‎ Nm User:Sedigheh ‎ Creating user page for new user. current
• 19:2919:29, 27 January 2014 diff hist +240‎ Nm User talk:Eric Walters ‎ Welcome! current
• 19:2919:29, 27 January 2014 diff hist +68‎ Nm User:Eric Walters ‎ Creating user page for new user. current

22 January 2014

• 18:1118:11, 22 January 2014 diff hist +1,464‎ N Adding memory to a virtual machine ‎ Created page with "Use "virsh", either locally: root@rocky$ virsh (COMMANDS HERE) or remotely: teague@spinaltap$ virsh --connect qemu:///rocky.cluster.uoft.bkslab.org/system (COMMANDS HERE) W..."

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

• 15:3715:37, 10 January 2014 diff hist −4‎ Category:Internal ‎No edit summary
• 15:3715:37, 10 January 2014 diff hist +106‎ Category:Internal ‎No edit summary
• 15:3315:33, 10 January 2014 diff hist −8‎ Lab Security Policy ‎No edit summary
• 15:3215:32, 10 January 2014 diff hist −7‎ Lab Security Policy ‎No edit summary
• 15:3115:31, 10 January 2014 diff hist +4‎ Lab Security Policy ‎No edit summary
• 15:3115:31, 10 January 2014 diff hist +19‎ Lab Security Policy ‎No edit summary
• 15:2915:29, 10 January 2014 diff hist +442‎ Lab Security Policy ‎No edit summary
• 15:2315:23, 10 January 2014 diff hist −21‎ Lab Security Policy ‎No edit summary
• 15:1915:19, 10 January 2014 diff hist +8‎ Lab Security Policy ‎No edit summary

9 January 2014

• 21:1821:18, 9 January 2014 diff hist −42‎ SSH public key authentication ‎ Redirected page to How to generate ssh keys securely current

9 December 2013

• 21:1221:12, 9 December 2013 diff hist +240‎ Nm User talk:Shuiqing li ‎ Welcome! current
• 21:1221:12, 9 December 2013 diff hist +30‎ Nm User:Shuiqing li ‎ Creating user page for new user. current

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

• 20:3520:35, 11 November 2013 diff hist +3‎ Cluster 1 ‎No edit summary
• 20:0820:08, 11 November 2013 diff hist +66‎ SVN ‎No edit summary
• 20:0720:07, 11 November 2013 diff hist +121‎ N Github ‎ Created page with "This page describes how to use github, which is our version control system. Category:Internal Category:Sysadmin"

6 November 2013

• 17:3117:31, 6 November 2013 diff hist +29‎ Loading ZINC12 ‎ →‎2. Parse SDF into ISM, harvesting data from SD tags into synonyms table
• 17:3017:30, 6 November 2013 diff hist −29‎ Loading ZINC12 ‎ →‎4. Desalt, filter out neverwants, stereochemical expansion, remove N stereochem, take 4 max
• 17:2917:29, 6 November 2013 diff hist +28‎ Loading ZINC12 ‎ →‎4. Desalt, filter out neverwants, stereochemical expansion, remove N stereochem, take 4 max
• 17:2817:28, 6 November 2013 diff hist +58‎ Loading ZINC12 ‎ →‎2. Parse SDF into ISM, harvesting data from SD tags into synonyms table
• 16:3416:34, 6 November 2013 diff hist +828‎ Loading ZINC12 ‎No edit summary
• 15:5015:50, 6 November 2013 diff hist +508‎ Loading ZINC12 ‎No edit summary

4 November 2013

• 15:2615:26, 4 November 2013 diff hist +7‎ Category:Sysadmin ‎No edit summary
• 15:2515:25, 4 November 2013 diff hist +379‎ N Category:Public ‎ Created page with "The public tag is the default and thus not necessary. Any page that is neither Internal nor Sysadmin is automatically considered Public. Roughly, pages on this site are cat..."
• 15:2415:24, 4 November 2013 diff hist +234‎ Category:Sysadmin ‎No edit summary
• 15:2415:24, 4 November 2013 diff hist +367‎ Category:Internal ‎No edit summary
• 14:5014:50, 4 November 2013 diff hist +161‎ N Category:Sysadmin ‎ Created page with "These are pages for docking.org sysadmins. This is a starting point and central node for anyone who wants to install, run and manage a docking.org site locally."
• 13:2413:24, 4 November 2013 diff hist +3,468‎ N Updating Rdkit ‎ Created page with " = Notes = Each version is now installed in $PYTHON_ROOT/local/rdkit-VERSION. The current version is a symlink now named $PYTHON_ROOT/local/rdkit. It's worth noting how this..."

2 November 2013

• 00:2500:25, 2 November 2013 diff hist +754‎ N Sysadmin guide to docking.org ‎ Created page with "This is what you need to know to be a sysadmin at docking.org or a docking.org clone site Worldwide ZINC. It will probably more of a checklist than a how to guide for some..."
• 00:1900:19, 2 November 2013 diff hist +33‎ Worldwide ZINC ‎ →‎Sites
• 00:1900:19, 2 November 2013 diff hist +832‎ N Worldwide ZINC ‎ Created page with "We have this crazy idea to replicate the lab in different sites around the world. We want to join these sites loosely together to that resources can be pooled, and improvement..."
• 00:1100:11, 2 November 2013 diff hist −50‎ DISI:Current events ‎No edit summary

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

• 20:2220:22, 31 October 2013 diff hist +603‎ N How to spin up a new virtual machine ‎ Created page with "This is the step by step guide on how to create a new vm on a hypervisor, and how to configure it, log in , and, optionally, configure sge and nfs. It is designed to be used..."
• 20:1420:14, 31 October 2013 diff hist +1,569‎ N Docking.org install ‎ Created page with "This page describes how to set up a new docking.org site, part of the worldwide ZINC network. = Approaches = * 1. You can set up each machine separately, download each packa..."
• 20:0320:03, 31 October 2013 diff hist +21‎ Install DOCK 6 ‎No edit summary
• 20:0320:03, 31 October 2013 diff hist +66‎ Workstation Install ‎No edit summary
• 20:0220:02, 31 October 2013 diff hist +21‎ Install SEA ‎No edit summary
• 20:0120:01, 31 October 2013 diff hist +59‎ Install DOCK 3 ‎No edit summary

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..."