User contributions for Frodo

04:2004:20, 14 February 2014 diff hist +47‎ SMILES ‎No edit summary
04:2004:20, 14 February 2014 diff hist +31‎ SDF ‎No edit summary
04:1904:19, 14 February 2014 diff hist +79‎ MODBASE ‎No edit summary current
04:1404:14, 14 February 2014 diff hist +41‎ Rescoring with PLOP ‎No edit summary
04:1404:14, 14 February 2014 diff hist +19‎ Requests for ZINC ‎No edit summary current
04:1304:13, 14 February 2014 diff hist +23‎ Reimbursement Instructions ‎No edit summary
04:1304:13, 14 February 2014 diff hist +23‎ Network configuration ‎No edit summary current
04:1104:11, 14 February 2014 diff hist +49‎ Quick Search Bar ‎No edit summary current
04:1104:11, 14 February 2014 diff hist +24‎ Public databases ‎No edit summary
04:1004:10, 14 February 2014 diff hist +80‎ Omega.parm ‎No edit summary current
04:0904:09, 14 February 2014 diff hist +44‎ Privacy policy ‎No edit summary
04:0804:08, 14 February 2014 diff hist +44‎ Omega.py ‎No edit summary current
04:0704:07, 14 February 2014 diff hist +77‎ Plop ‎No edit summary
04:0604:06, 14 February 2014 diff hist +99‎ Pka ‎No edit summary
04:0504:05, 14 February 2014 diff hist +52‎ Phenix ‎No edit summary current
04:0504:05, 14 February 2014 diff hist +62‎ Parameter Parser ‎No edit summary current
04:0404:04, 14 February 2014 diff hist +4‎ Tack Kuntz ‎No edit summary
04:0204:02, 14 February 2014 diff hist +72‎ PDB ‎No edit summary
04:0104:01, 14 February 2014 diff hist +42‎ PBSA Score ‎No edit summary current
04:0104:01, 14 February 2014 diff hist +50‎ Output ‎No edit summary current
04:0004:00, 14 February 2014 diff hist +56‎ Otrs maintenance ‎No edit summary current
03:5803:58, 14 February 2014 diff hist +24‎ Network ‎No edit summary
03:5703:57, 14 February 2014 diff hist +23‎ Machines ‎No edit summary
03:5703:57, 14 February 2014 diff hist +63‎ MDL Databases available ‎No edit summary current
03:5403:54, 14 February 2014 diff hist +21‎ Hit to lead ‎No edit summary current
03:5403:54, 14 February 2014 diff hist −47‎ Group Meeting ‎ →‎Note room bookings in Toronto
03:5303:53, 14 February 2014 diff hist +23‎ Group Meeting ‎No edit summary
03:5203:52, 14 February 2014 diff hist +65‎ Grid-convert ‎No edit summary
03:5103:51, 14 February 2014 diff hist +18‎ Dock Users' Meeting Minutes (DUMM) ‎No edit summary current
03:5103:51, 14 February 2014 diff hist +101‎ Dock Users' Meeting Minutes (DUMM) ‎No edit summary
03:5003:50, 14 February 2014 diff hist +55‎ Multimol2db.py ‎No edit summary
03:4603:46, 14 February 2014 diff hist +54‎ KEGG ‎No edit summary
03:4503:45, 14 February 2014 diff hist +61‎ Jerome Hert ‎No edit summary current
03:4403:44, 14 February 2014 diff hist +43‎ Getting Started ‎No edit summary
03:4303:43, 14 February 2014 diff hist +70‎ GPCR Waiver Wire ‎No edit summary
03:4303:43, 14 February 2014 diff hist +251‎ Hypervisor ‎No edit summary
03:4003:40, 14 February 2014 diff hist +83‎ Flex drive.tbl ‎No edit summary
03:3903:39, 14 February 2014 diff hist +46‎ Flexible docking code ‎No edit summary current
03:3903:39, 14 February 2014 diff hist +46‎ FlexPepDock ‎No edit summary current
03:3803:38, 14 February 2014 diff hist +82‎ Enm explorer ‎No edit summary
03:3703:37, 14 February 2014 diff hist −65‎ Computer aided drug discovery ‎No edit summary current
03:3503:35, 14 February 2014 diff hist +44‎ Filter.py: ‎No edit summary
03:3403:34, 14 February 2014 diff hist +44‎ Example of Disorder ‎No edit summary
03:2303:23, 14 February 2014 diff hist +100‎ Public databases ‎No edit summary
03:2203:22, 14 February 2014 diff hist +68‎ Eplop ‎No edit summary current
03:2103:21, 14 February 2014 diff hist +87‎ ELC ‎No edit summary
03:2003:20, 14 February 2014 diff hist +90‎ Drugs sans targets ‎No edit summary
03:1803:18, 14 February 2014 diff hist +44‎ Dock Sampling ‎No edit summary
03:1803:18, 14 February 2014 diff hist 0‎ Disk full ‎No edit summary
03:1703:17, 14 February 2014 diff hist +23‎ Dependencies ‎No edit summary current
03:1603:16, 14 February 2014 diff hist −13‎ DOCK 5 ‎No edit summary
03:1403:14, 14 February 2014 diff hist +44‎ N Curl zinc ‎ Frodo moved page Curl zinc to Get ZINC under program control: Clearer name says what it is about. current
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}}"

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,..."

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"

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]]"

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 ..."

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

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..."

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..."

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

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

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

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..."

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"

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

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..."

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

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,..."

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

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..."

18:4018:40, 21 August 2013 diff hist +25‎ Group Meeting ‎ →‎Note room bookings in Toronto

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

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

16:5116:51, 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..."

15:0615:06, 15 July 2013 diff hist +273‎ Group Meeting ‎No edit summary

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"

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 ..."

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

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

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

14:3714:37, 8 April 2013 diff hist +409‎ N Template:Main other ‎ Created page with "{{#switch:  {{#if:{{{demospace|}}} | {{lc: {{{demospace}}} }}  | ..." current

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

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

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

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

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

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

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..."

18:1818:18, 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

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..."

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

19:1119:11, 23 January 2013 diff hist +516‎ Welcome group members ‎ →‎Obtaining credentials

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..."

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

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

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

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..."

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

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

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