User contributions for Frodo
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14 February 2014
- 03:1403:14, 14 February 2014 diff hist 0 m Get ZINC under program control Frodo moved page Curl zinc to Get ZINC under program control: Clearer name says what it is about.
- 03:1403:14, 14 February 2014 diff hist +65 Get ZINC under program control No edit summary
- 03:0703:07, 14 February 2014 diff hist +42 Choosing a subset No edit summary current
- 03:0603:06, 14 February 2014 diff hist +104 Chemoinformatics Waiver Wire No edit summary
- 03:0503:05, 14 February 2014 diff hist +52 Chemdraw figure preparation No edit summary current
- 03:0403:04, 14 February 2014 diff hist +73 Chembl processing protocol No edit summary
- 03:0403:04, 14 February 2014 diff hist 0 Checkout dockenv No edit summary
- 03:0303:03, 14 February 2014 diff hist +79 Checkout dockenv No edit summary
- 03:0203:02, 14 February 2014 diff hist −51 ChEMBL API No edit summary
- 02:5902:59, 14 February 2014 diff hist +55 Cassidy clustering No edit summary
- 02:5802:58, 14 February 2014 diff hist +81 Calculate DOCK6 RMSD No edit summary
- 02:5702:57, 14 February 2014 diff hist +98 CSD No edit summary
- 02:5502:55, 14 February 2014 diff hist +76 Basic Tutorial No edit summary
- 02:5502:55, 14 February 2014 diff hist +53 SEA No edit summary
- 02:5402:54, 14 February 2014 diff hist +103 BKS lab Structure preparation No edit summary
- 02:5202:52, 14 February 2014 diff hist +45 Cluster 4 No edit summary
- 02:2202:22, 14 February 2014 diff hist −20 Category:DOCK 3.7 Blanked the page
- 02:1602:16, 14 February 2014 diff hist +20 N Category:DOCK 3.7 Created page with "{{catmain|DOCK 3.7}}"
13 February 2014
- 21:5121:51, 13 February 2014 diff hist −82 DOCK 3.6 No edit summary
- 21:4221:42, 13 February 2014 diff hist +31 DOCK 3.7 No edit summary
- 21:4121:41, 13 February 2014 diff hist +3,353 N Analyzing DOCK Results Created page with "Analyzing DOCK results The dock37tools in $d37 contain various analysis programs. Once your jobs are done, you can run: $d37/extract_all.py If your ran a prospective run, it..."
- 21:4021:40, 13 February 2014 diff hist +1,567 N Running DOCK 3.7 Created page with "Setting up an alias for the dock37tools directory in $DOCK_BASE/src/dock37tools/ is highly recommended, though you don't need it if you don't want it. Assume you have it set a..." current
- 21:3921:39, 13 February 2014 diff hist +4 DOCK 3.7 No edit summary
- 21:3821:38, 13 February 2014 diff hist +555 N ZINC Subset DB2 file locations Created page with "On the UCSF cluster: /raida/db/rgc/frags-now-marvin Fragments available now /raida/db/rgc/frags-all-marvin All fragments available now or on-demand quickly /raida/db/rgc/lead..."
- 21:3721:37, 13 February 2014 diff hist +3,536 N Flexible Docking Created page with """"Flexible Docking""" For citations and example use, please see Citations for DOCK3.7, Fischer, Coleman et al. Input for flexible docking requires a single PDB file with al..." current
- 21:3521:35, 13 February 2014 diff hist +672 N Adding Static Waters to the Protein Structure Created page with "If you have ordered waters in your structure, DOCK3.7 can use them, but you have to add hydrogens 'manually' using some visualization program and your intuition. Once this is ..."
- 21:3421:34, 13 February 2014 diff hist +1,669 N Protein Target Preparation Created page with "Protein Target Preparation be-blasti is still the preferred method of downloading PDB files and splitting them into rec.pdb and xtal-lig.pdb files. Run it with be_blasti.csh ..."
- 21:3121:31, 13 February 2014 diff hist +181 N Mol2db2 Created page with "mol2db2 is a program that takes multi-conformation mol2 files and compiles them into the db2 format for docking. {{Template:CC-BY-SA-30}} {{Template:Coleman}} [[Category:DOCK..."
- 21:3021:30, 13 February 2014 diff hist +2 DOCK 3.7 No edit summary
- 21:3021:30, 13 February 2014 diff hist +35 DOCK 3.7 No edit summary
- 21:2921:29, 13 February 2014 diff hist 0 Ligand preparation No edit summary
- 21:2821:28, 13 February 2014 diff hist +1,096 N Ligand preparation Created page with "Ligand preparation has been modified to use mol2db2 instead of mol2db for database generation. Many other features have also been integrated. To build a set of ligands from SM..."
- 21:2721:27, 13 February 2014 diff hist +6,248 N Mol2db2 format Created page with "<pre> Mol2db2 Format 2 File Format T type information (implicitly assumed) M molecule (4 lines req'd, after that they are optional, 24 lines max) A atoms B bond X xyz R rigid..."
- 21:2321:23, 13 February 2014 diff hist +4 DOCK 3.7 No edit summary
- 21:2221:22, 13 February 2014 diff hist +47 Analyzing DOCK 3.7 Results No edit summary current
- 21:2121:21, 13 February 2014 diff hist +4,710 N INDOCK 3.7 Created page with "<pre> DOCK 3.7 parameter ##################################################### # NOTE: split_database_index is reserved to specify a list of files ligand_atom_file ..."
- 21:1921:19, 13 February 2014 diff hist −2 DOCK 3.7 No edit summary
- 21:1821:18, 13 February 2014 diff hist +1 DOCK 3.7 No edit summary
- 21:1821:18, 13 February 2014 diff hist −25 DOCK 3.7 No edit summary
- 21:1721:17, 13 February 2014 diff hist +306 DOCK 3.7 No edit summary
- 21:1721:17, 13 February 2014 diff hist +175 N Template:Coleman Created page with "This page is adapted from "DOCK3.7 Documentation" by Ryan G. Coleman. Based on a work at [https://sites.google.com/site/dock37wiki/ https://sites.google.com/site/dock37wiki/]."
- 21:1621:16, 13 February 2014 diff hist −281 Template:CC-BY-SA-30 No edit summary
- 21:1021:10, 13 February 2014 diff hist +561 N Template:CC-BY-SA-30 Created page with "[Image:http://i.creativecommons.org/l/by-sa/3.0/88x31.png] This work is licensed under the Creative Commons Attribution-ShareAlike 3.0 Unported License. To view a copy of thi..."
- 21:0021:00, 13 February 2014 diff hist +3,440 N Analyzing DOCK 3.7 Results Created page with "Analyzing DOCK 3.7 results The dock37tools in $d37 contain various analysis programs. Once your jobs are done, you can run: $d37/extract_all.py If you ran a prospective run,..."
12 February 2014
- 20:0420:04, 12 February 2014 diff hist +69 N Hypervisor Created page with "ssh into the hypervisor (apes, rocky, pulp) sudo virsh list --all"
30 January 2014
- 17:1717:17, 30 January 2014 diff hist +166 N Disk full Created page with "if the disk is full, here is how you find out who the major culprits are (example here is /raid1) sudo /usr/sbin/repquota /raid1 | sort -nk3 [{Category:Internal]]"
29 January 2014
- 20:4520:45, 29 January 2014 diff hist +862 N Get ZINC under program control Created page with "More things to not forget <pre> teague:~$ 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
- 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..."
- 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
- 21:5821:58, 14 August 2013 diff hist +239 Nm User talk:Aniello Palma Welcome! current
- 21:5821:58, 14 August 2013 diff hist +196 Nm User:Aniello Palma Creating user page for new user. current
24 July 2013
- 09:3209:32, 24 July 2013 diff hist +237 Nm User talk:Irene Zegar Welcome! current
- 09:3209:32, 24 July 2013 diff hist +191 Nm User:Irene Zegar Creating user page for new user. current
16 July 2013
- 16:5116:51, 16 July 2013 diff hist −55 Sysadmin No edit summary
- 16:3916:39, 16 July 2013 diff hist +63 Sysadmin No edit summary
- 16:3816:38, 16 July 2013 diff hist −1 Disk types →scratch
- 16:3716:37, 16 July 2013 diff hist −12 Disk types →scratch
- 16:3716:37, 16 July 2013 diff hist +165 Disk types No edit summary
- 15:4615:46, 16 July 2013 diff hist +170 m Disk types No edit summary
- 15:4315:43, 16 July 2013 diff hist +1,548 N Disk types Created page with "Disk types in Toronto = home = Each user has a home directory. /nfs/home/userid/. There is a default quota of 1 TB. Home is backed up weekly. You will not be able to run Je..."
15 July 2013
- 15:0615:06, 15 July 2013 diff hist +273 Group Meeting No edit summary
10 July 2013
- 18:0918:09, 10 July 2013 diff hist +162 N Tunnel how to Created page with "ssh -D 8090 sgehead.uoft.bkslab.org chrome->settings->network->proxy->socks proxy host: localhost port: 8090 Category:Internal Tunelling ssh private network"
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
- 15:2915:29, 26 May 2013 diff hist +236 Nm User talk:Abdelsattar omar Welcome! current
- 15:2915:29, 26 May 2013 diff hist +1,552 Nm User:Abdelsattar omar Creating user page for new user. current
19 April 2013
- 23:3223:32, 19 April 2013 diff hist +325 Help:Contents No edit summary
- 23:2823:28, 19 April 2013 diff hist +193 N DISI:Current events Created page with "Current Events - April 2013 - The calm before the storm. - May 2013 - Lab moving from San Francisco to Toronto - June 2013 - Everything normal - July 2013 - People travell..."
- 23:2623:26, 19 April 2013 diff hist +40 Sysadmin No edit summary
- 23:2523:25, 19 April 2013 diff hist −1 m About our cluster No edit summary
- 23:2523:25, 19 April 2013 diff hist +23 About our cluster No edit summary
- 23:2423:24, 19 April 2013 diff hist +58 About our cluster No edit summary
17 April 2013
- 18:5218:52, 17 April 2013 diff hist +238 Nm User talk:Oliv Eidam Welcome! current
- 18:5218:52, 17 April 2013 diff hist +28 Nm User:Oliv Eidam Creating user page for new user. current
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
- 22:4522:45, 6 April 2013 diff hist −202 Cluster 1 No edit summary
- 22:4422:44, 6 April 2013 diff hist +114 Cluster 1 No edit summary
- 22:4122:41, 6 April 2013 diff hist +340 Cluster 1 No edit summary
- 22:3022:30, 6 April 2013 diff hist +13 Cluster 1 No edit summary
- 22:2922:29, 6 April 2013 diff hist +297 Cluster 1 No edit summary
- 22:2622:26, 6 April 2013 diff hist +834 Cluster 1 No edit summary
- 22:1922:19, 6 April 2013 diff hist +24 Cluster 0 No edit summary
- 20:2920:29, 6 April 2013 diff hist +148 Cluster 1 No edit summary
- 19:1419:14, 6 April 2013 diff hist +461 About our cluster No edit summary
5 April 2013
- 22:4322:43, 5 April 2013 diff hist −84 Cluster 0 No edit summary
- 22:4222:42, 5 April 2013 diff hist +23 Cluster 1 No edit summary
- 22:4222:42, 5 April 2013 diff hist +23 Cluster 0 No edit summary
- 22:4122:41, 5 April 2013 diff hist +1,123 N Cluster 1 Created page with "Our cluster at the University of Toronto St George Campus is described on this page. We also have a UCSF Cluster from our time in San Francisco. Rack 1. Currently in..."
- 22:0722:07, 5 April 2013 diff hist +148 N About our cluster Created page with "We currently have two clusters. * One in San Francsico at UCSF. UCSF Cluster * One in Toronto at UofT. UofT Cluster Category:Internal"
- 22:0622:06, 5 April 2013 diff hist −1 DOCK Blaster:FAQ →What is DOCK Blaster? current
- 22:0522:05, 5 April 2013 diff hist 0 m Cluster 0 Frodo moved page Cluster Information to UCSF Cluster without leaving a redirect: now we have two clusters
27 March 2013
- 20:4920:49, 27 March 2013 diff hist +84 N ZINC maintenance Created page with "This page is just for John screen -R instazinc ~teague/part/production/instazinc.py"
- 16:2416:24, 27 March 2013 diff hist +528 N Nobody Created page with "If you are on a server that is listing the owner of a file as nobody:nobody that is the result of a missing line in a config file. It's a very simple fix though: edit the fil..."
- 16:2316:23, 27 March 2013 diff hist +238 Nm User talk:Jiahuang Li Welcome! current
- 16:2316:23, 27 March 2013 diff hist +85 Nm User:Jiahuang Li Creating user page for new user. current
- 16:2216:22, 27 March 2013 diff hist +238 Nm User talk:Sweta Kumari Prasad Welcome! current
- 16:2216:22, 27 March 2013 diff hist +79 Nm User:Sweta Kumari Prasad Creating user page for new user. current
- 16:2216:22, 27 March 2013 diff hist +238 Nm User talk:Sweta Kumari Welcome! current
- 16:2216:22, 27 March 2013 diff hist +30 Nm User:Sweta Kumari Creating user page for new user. current
- 16:2216:22, 27 March 2013 diff hist +238 Nm User talk:SheldonCelan Welcome! current
- 16:2216:22, 27 March 2013 diff hist +44 Nm User:SheldonCelan Creating user page for new user. current
27 February 2013
- 01:3901:39, 27 February 2013 diff hist −2 ZINC Biogenic Libraries →Results
- 01:3901:39, 27 February 2013 diff hist +200 ZINC Biogenic Libraries →Argument
- 01:3801:38, 27 February 2013 diff hist +23 ZINC Biogenic Libraries →Results
- 01:3001:30, 27 February 2013 diff hist −1 m ZINC Biogenic Libraries No edit summary
25 February 2013
- 01:5501:55, 25 February 2013 diff hist +328 ZINC Biogenic Libraries No edit summary
- 01:5301:53, 25 February 2013 diff hist +50 ZINC Biogenic Libraries No edit summary
- 01:5101:51, 25 February 2013 diff hist +155 ZINC Biogenic Libraries No edit summary
- 01:5001:50, 25 February 2013 diff hist +325 ZINC Biogenic Libraries No edit summary
22 February 2013
- 05:4905:49, 22 February 2013 diff hist +37 N ZINC Natural Product Like Library Frodo moved page ZINC Natural Product Like Library to ZINC Biogenic Libraries current
- 05:4905:49, 22 February 2013 diff hist 0 m ZINC Biogenic Libraries Frodo moved page ZINC Natural Product Like Library to ZINC Biogenic Libraries
- 05:4905:49, 22 February 2013 diff hist +597 ZINC Biogenic Libraries No edit summary
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
- 18:1818:18, 18 February 2013 diff hist +241 Nm User talk:MUKESH KUMAR KUMAWAT Welcome! current
- 18:1818:18, 18 February 2013 diff hist +60 Nm User:MUKESH KUMAR KUMAWAT Creating user page for new user. current
12 February 2013
- 20:4220:42, 12 February 2013 diff hist 0 ZINC Novelty Score No edit summary
- 20:4220:42, 12 February 2013 diff hist +149 m ZINC Novelty Score No edit summary
- 19:0319:03, 12 February 2013 diff hist +1,503 N ZINC Novelty Score Created page with "The ZINC Novelty Score (ZNS) is a statistic to express how unusual a molecule is compared to what is in ZINC. It is calculated automatically following a ZINC search in the new..."
28 January 2013
- 18:5818:58, 28 January 2013 diff hist +105 HEI No edit summary
- 18:5618:56, 28 January 2013 diff hist +240 Nm User talk:Inard Cyril Welcome! current
- 18:5618:56, 28 January 2013 diff hist +619 Nm User:Inard Cyril Creating user page for new user. current
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
- 19:0919:09, 20 January 2013 diff hist +240 Nm User talk:Dahlia Welcome! current
- 19:0919:09, 20 January 2013 diff hist +26 Nm User:Dahlia Creating user page for new user. current
- 19:0919:09, 20 January 2013 diff hist +240 Nm User talk:Helene klein Welcome! current
- 19:0919:09, 20 January 2013 diff hist +67 Nm User:Helene klein Creating user page for new user. current
16 January 2013
- 23:5123:51, 16 January 2013 diff hist +240 Nm User talk:Helene Welcome! current
- 23:5123:51, 16 January 2013 diff hist +67 Nm User:Helene Creating user page for new user. current
- 23:5123:51, 16 January 2013 diff hist +240 Nm User talk:Helene klein9 Welcome! current
- 23:5123:51, 16 January 2013 diff hist +37 Nm User:Helene klein9 Creating user page for new user. current
2 December 2012
- 19:5019:50, 2 December 2012 diff hist +240 Nm User talk:Eugene Fluder Welcome! current
- 19:5019:50, 2 December 2012 diff hist +120 Nm User:Eugene Fluder Creating user page for new user. current
21 November 2012
- 17:4017:40, 21 November 2012 diff hist +574 Configure new disk No edit summary
- 17:3117:31, 21 November 2012 diff hist +48 Configure new disk No edit summary
- 17:2217:22, 21 November 2012 diff hist +28 Configure new disk No edit summary
- 17:1517:15, 21 November 2012 diff hist +133 Configure new disk No edit summary
- 17:0717:07, 21 November 2012 diff hist +1,720 N Configure new disk Created page with "=Configure new disk= == High level description == * 0.1) remove the disk in the db array as a spare from the system array (this was a workaround for something strange) * 0.2..."
18 November 2012
- 22:1422:14, 18 November 2012 diff hist +241 Nm User talk:Sabina Shrestha Welcome! current
- 22:1422:14, 18 November 2012 diff hist +52 Nm User:Sabina Shrestha Creating user page for new user. current
- 22:1322:13, 18 November 2012 diff hist +241 Nm User talk:John Richard Riordan Welcome! current
- 22:1322:13, 18 November 2012 diff hist +70 Nm User:John Richard Riordan Creating user page for new user. current
23 October 2012
- 19:2019:20, 23 October 2012 diff hist +259 N Smiles update Created page with "This is the internal instruction page for smiles update * 1. export subset 31 on nfshead5 * 2. copy 31_p0.smi.gz to zincdb4 * 3. run smiles_update.sh * 4. run smiles_swap.sh..."
- 19:1719:17, 23 October 2012 diff hist +16 Create decoy tables No edit summary
- 00:2400:24, 23 October 2012 diff hist +23 Sysadmin No edit summary
- 00:2400:24, 23 October 2012 diff hist −1 Customize shell No edit summary current
- 00:2300:23, 23 October 2012 diff hist +11 Customize shell No edit summary
- 00:2300:23, 23 October 2012 diff hist +1 Customize shell No edit summary
- 00:2200:22, 23 October 2012 diff hist +62 Customize shell No edit summary
- 00:2100:21, 23 October 2012 diff hist +8 Customize shell No edit summary
22 October 2012
- 23:5323:53, 22 October 2012 diff hist +379 Drugs sans targets No edit summary
21 October 2012
- 19:0519:05, 21 October 2012 diff hist −24 PIN Policy No edit summary
- 19:0419:04, 21 October 2012 diff hist −20 Quotas No edit summary current
- 19:0019:00, 21 October 2012 diff hist −2 ZINC12 mechanics No edit summary
- 18:5918:59, 21 October 2012 diff hist +5 Ligand based No edit summary
- 18:2318:23, 21 October 2012 diff hist −9 Fingerprint based methods No edit summary
- 18:2218:22, 21 October 2012 diff hist +5 Early stage drug discovery No edit summary
- 18:2218:22, 21 October 2012 diff hist +3 Computer aided drug design No edit summary
- 18:2118:21, 21 October 2012 diff hist +1 Enzymes No edit summary
- 18:2118:21, 21 October 2012 diff hist −18 DISI:Community portal No edit summary
- 18:2018:20, 21 October 2012 diff hist +5 Clinical testing No edit summary
- 18:2018:20, 21 October 2012 diff hist +5 Allosteric sites No edit summary
- 18:1918:19, 21 October 2012 diff hist −73 Shoichet Lab No edit summary
- 18:1718:17, 21 October 2012 diff hist +17 DOCK Blaster:Custom Database No edit summary
- 18:1418:14, 21 October 2012 diff hist −17 Open standards No edit summary
- 18:1418:14, 21 October 2012 diff hist −17 Open source No edit summary
- 18:1418:14, 21 October 2012 diff hist −49 Decoys No edit summary
- 18:0918:09, 21 October 2012 diff hist +1 Docking Competition No edit summary
- 18:0918:09, 21 October 2012 diff hist 0 Virtual library No edit summary
- 18:0818:08, 21 October 2012 diff hist −36 m Virtual library No edit summary
- 18:0818:08, 21 October 2012 diff hist −1 ODOSOS No edit summary
- 18:0818:08, 21 October 2012 diff hist −1 m Bioinformatics No edit summary
- 18:0718:07, 21 October 2012 diff hist −1 Chemical Diversity No edit summary
- 18:0718:07, 21 October 2012 diff hist +1 Chemical Diversity No edit summary
- 18:0618:06, 21 October 2012 diff hist +3 Chemical Diversity No edit summary
- 18:0318:03, 21 October 2012 diff hist +1 ODOSOS No edit summary
- 18:0318:03, 21 October 2012 diff hist +333 Bioinformatics No edit summary
- 17:5917:59, 21 October 2012 diff hist −44 Flexibase Format No edit summary current
- 17:5817:58, 21 October 2012 diff hist +6 AMBER Score No edit summary
- 17:5517:55, 21 October 2012 diff hist −17 ODOSOS No edit summary
- 17:5417:54, 21 October 2012 diff hist −8 ODOSOS No edit summary
19 October 2012
- 19:3519:35, 19 October 2012 diff hist +240 Nm User talk:Yvonne Munchua Welcome! current
- 19:3519:35, 19 October 2012 diff hist +36 Nm User:Yvonne Munchua Creating user page for new user. current
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
- 17:1317:13, 15 October 2012 diff hist +240 Nm User talk:Hlin Welcome! current
- 17:1317:13, 15 October 2012 diff hist +20 Nm User:Hlin Creating user page for new user. current
12 October 2012
- 22:4722:47, 12 October 2012 diff hist +240 Nm User talk:Teague Sterling Welcome! current
- 22:4722:47, 12 October 2012 diff hist +47 Nm User:Teague Sterling Creating user page for new user. current
- 20:4520:45, 12 October 2012 diff hist +240 Nm User talk:Tbalius Welcome! current
- 20:4520:45, 12 October 2012 diff hist +50 Nm User:Tbalius Creating user page for new user. current
- 20:3520:35, 12 October 2012 diff hist 0 N File:550px-Wiktionary-logo-en.png No edit summary current
- 19:3419:34, 12 October 2012 diff hist +28 N User talk:Frodo Created page with "This is the Frodo talk page."
- 17:2417:24, 12 October 2012 diff hist +240 Nm User talk:Rgc Welcome! current
- 17:2417:24, 12 October 2012 diff hist +42 Nm User:Rgc Creating user page for new user.
- 00:0300:03, 12 October 2012 diff hist +240 Nm User talk:Sarah barelier Welcome! current
- 00:0300:03, 12 October 2012 diff hist +64 Nm User:Sarah barelier Creating user page for new user. current