User contributions for Jyoung
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27 May 2020
- 17:1317:13, 27 May 2020 diff hist +42 TLDR No edit summary
- 17:1317:13, 27 May 2020 diff hist +1 Add Tools18 module →Test run!
- 17:1317:13, 27 May 2020 diff hist +41 Add Tools18 module No edit summary
- 00:5400:54, 27 May 2020 diff hist −11 TLDR →DUDE-Z
- 00:5300:53, 27 May 2020 diff hist +48 TLDR →DUDE-Z
- 00:5300:53, 27 May 2020 diff hist +375 TLDR No edit summary
17 April 2020
- 22:2922:29, 17 April 2020 diff hist +44 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
- 22:2922:29, 17 April 2020 diff hist −942 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
15 April 2020
- 19:1519:15, 15 April 2020 diff hist +190 Rdkit hlogp batch.py No edit summary current
- 17:2517:25, 15 April 2020 diff hist +88 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
14 April 2020
- 21:3821:38, 14 April 2020 diff hist +225 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
- 21:1521:15, 14 April 2020 diff hist −2 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
- 21:1321:13, 14 April 2020 diff hist +25 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
- 21:1221:12, 14 April 2020 diff hist +139 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
- 21:1121:11, 14 April 2020 diff hist +10 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
- 21:1021:10, 14 April 2020 diff hist +91 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
- 21:0021:00, 14 April 2020 diff hist +47 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
- 21:0021:00, 14 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
- 20:5920:59, 14 April 2020 diff hist +919 ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP No edit summary
- 20:5420:54, 14 April 2020 diff hist +709 N ZINC22:Fine Tranching with RDKit using Heavy Atom Count and LogP Created page with "Written by Jennifer Young on April 14, 2020 =Introduction= These scripts perform fine tranching with RDKit to compute the heavy atom count and logP for each molecule and put..."
8 April 2020
- 18:3118:31, 8 April 2020 diff hist −144 How to use SmallWorld API →List of Publicly Available Maps
- 18:2918:29, 8 April 2020 diff hist +4 How to use SmallWorld API →Example Request
- 18:2918:29, 8 April 2020 diff hist −4 How to use SmallWorld API →Example Request
- 18:1318:13, 8 April 2020 diff hist −3 How to use SmallWorld API →The SmallWorld API provides the following additional entry points:
- 18:1218:12, 8 April 2020 diff hist +2 How to use SmallWorld API →List of Publicly Available Maps
- 18:0318:03, 8 April 2020 diff hist +30 How to use SmallWorld API →List of Publicly Available Maps
- 18:0018:00, 8 April 2020 diff hist +3 How to use SmallWorld API →Example Request
- 17:5917:59, 8 April 2020 diff hist +21 How to use SmallWorld API →Example Request
- 17:5917:59, 8 April 2020 diff hist +715 How to use SmallWorld API No edit summary
- 17:5317:53, 8 April 2020 diff hist +757 How to use SmallWorld API No edit summary
20 February 2020
- 21:0221:02, 20 February 2020 diff hist +2 Tomcat Installation on CentOS 6 No edit summary
- 21:0221:02, 20 February 2020 diff hist +73 Tomcat Installation on CentOS 6 No edit summary
30 January 2020
- 23:3023:30, 30 January 2020 diff hist +1,321 Arthor Documentation for Future Developer No edit summary
22 January 2020
- 22:0722:07, 22 January 2020 diff hist +4 Tomcat Installation →Important: Create setenv.sh for environment variables current
- 22:0722:07, 22 January 2020 diff hist +112 Tomcat Installation →Important: Create setenv.sh for environment variables
- 22:0022:00, 22 January 2020 diff hist +12 Tomcat Installation No edit summary
- 21:5821:58, 22 January 2020 diff hist −1 m Tomcat Installation No edit summary
17 January 2020
- 21:1021:10, 17 January 2020 diff hist +443 Tomcat Installation No edit summary
- 21:0421:04, 17 January 2020 diff hist +94 Tomcat Installation No edit summary
- 21:0221:02, 17 January 2020 diff hist +2,117 Tomcat Installation No edit summary
- 20:5120:51, 17 January 2020 diff hist +2,571 N Tomcat Installation Created page with "Written by Jennifer Young on January 17, 2020 (still in progress) This guide is for CentOS 7 =Step 0: Make sure Tomcat is not already installed= Run as root systemctl st..."
10 January 2020
- 21:5121:51, 10 January 2020 diff hist +28 How to Install SmartsEditor on CentOS6 No edit summary current
- 21:5121:51, 10 January 2020 diff hist +47 How to Install SmartsEditor on CentOS6 No edit summary
- 21:5021:50, 10 January 2020 diff hist +170 How to Install SmartsEditor on CentOS6 No edit summary
- 21:4921:49, 10 January 2020 diff hist +179 How to Install SmartsEditor on CentOS6 No edit summary
- 21:4721:47, 10 January 2020 diff hist +542 N How to Install SmartsEditor on CentOS6 Created page with "Register at https://software.zbh.uni-hamburg.de with your UCSF email They will email you with a link to log in and download Smarts Editor. Download the RedHat 64 Bit Zip from..."
9 January 2020
- 00:1100:11, 9 January 2020 diff hist +23 Creating Maps on SmallWorld No edit summary current
- 00:1100:11, 9 January 2020 diff hist +26 Creating Maps on SmallWorld No edit summary
8 January 2020
- 23:4223:42, 8 January 2020 diff hist +23 How to use Arthor API No edit summary
- 23:4223:42, 8 January 2020 diff hist +23 How to use SmallWorld API No edit summary
- 23:4123:41, 8 January 2020 diff hist +44 How to use SmallWorld API No edit summary
- 23:4123:41, 8 January 2020 diff hist +38 How to use Arthor API No edit summary
- 22:1122:11, 8 January 2020 diff hist +171 SmallWorld Documentation for Future Developer No edit summary
7 January 2020
- 22:1722:17, 7 January 2020 diff hist +29 SmallWorld Documentation for Future Developer No edit summary
- 20:2320:23, 7 January 2020 diff hist 0 m Arthor Documentation for Future Developer No edit summary
- 20:2220:22, 7 January 2020 diff hist +99 Arthor Documentation for Future Developer No edit summary
6 January 2020
- 23:0823:08, 6 January 2020 diff hist +29 Arthor Documentation for Future Developer No edit summary
- 23:0823:08, 6 January 2020 diff hist +826 Arthor Documentation for Future Developer →How to run standalone Arthor instance
18 December 2019
- 00:1600:16, 18 December 2019 diff hist +26 How to use Arthor API No edit summary
17 December 2019
- 02:3102:31, 17 December 2019 diff hist +621 Arthor Documentation for Future Developer No edit summary
- 02:0302:03, 17 December 2019 diff hist +162 Arthor Documentation for Future Developer →Open port for Arthor
- 01:5801:58, 17 December 2019 diff hist +309 Arthor Documentation for Future Developer No edit summary
16 December 2019
- 23:0123:01, 16 December 2019 diff hist −7 Arthor Documentation for Future Developer →Setting environment variables for TomCat Server
- 23:0023:00, 16 December 2019 diff hist +892 Arthor Documentation for Future Developer No edit summary
- 22:4822:48, 16 December 2019 diff hist +645 Arthor Documentation for Future Developer No edit summary
- 21:2821:28, 16 December 2019 diff hist +667 N Arthor Documentation for Future Developer Created page with "Written by Jennifer Young on December 16, 2019 ==Install and Set Up on TomCat== Arthor currently runs on n-1-136, which runs CentOS Linux release 7.7.1908 (Core). You can ch..."
11 December 2019
- 22:0422:04, 11 December 2019 diff hist +77 How to use Arthor API No edit summary
6 December 2019
- 23:5723:57, 6 December 2019 diff hist +58 How to use Arthor API No edit summary
- 23:5623:56, 6 December 2019 diff hist −2 How to use Arthor API No edit summary
- 23:5623:56, 6 December 2019 diff hist +76 How to use Arthor API No edit summary
- 23:5523:55, 6 December 2019 diff hist +6,210 N How to use Arthor API Created page with "=Introduction= This information was taken from the Arthor version 2.1.2 documentation. RESTful API: The current server implementation utilizes the Data Tables JS library to ..."
30 August 2019
- 23:4923:49, 30 August 2019 diff hist +1 Set up a new Desktop →Network Configuration
- 23:4823:48, 30 August 2019 diff hist +107 Set up a new Desktop →Network Configuration
- 23:4823:48, 30 August 2019 diff hist −106 Set up a new Desktop →Installation Destination Configuration
- 23:4523:45, 30 August 2019 diff hist +64 Set up a new Desktop →Installation Destination Configuration
- 23:4323:43, 30 August 2019 diff hist +1 Set up a new Desktop →Network Configuration
29 August 2019
- 17:1217:12, 29 August 2019 diff hist +1,314 Sharing file systems with nfs server and mounting file systems with nfs client No edit summary
26 August 2019
- 23:4623:46, 26 August 2019 diff hist +571 Sharing file systems with nfs server and mounting file systems with nfs client No edit summary
- 23:3623:36, 26 August 2019 diff hist +25 Sharing file systems with nfs server and mounting file systems with nfs client No edit summary
- 23:3623:36, 26 August 2019 diff hist +101 N Sharing file systems with nfs server and mounting file systems with nfs client Created page with "=Sharing file systems with nfs server= =Mounting file systems with nfs client= Category: Ben "
- 19:1119:11, 26 August 2019 diff hist −1 m Tomcat Installation on CentOS 6 →What if n-9-22 is restarted / rebooted?
- 18:5918:59, 26 August 2019 diff hist +51 Tomcat Installation on CentOS 6 No edit summary
19 July 2019
- 18:3518:35, 19 July 2019 diff hist +4 Creating Maps on SmallWorld →Step 3-4 Combined: Rather than concatenating and sorting, merge the map file chunks (assuming they are already sorted)
- 18:3518:35, 19 July 2019 diff hist −1 Creating Maps on SmallWorld →Step 3-4 Combined: Rather than concatenating and sorting, merge the map file chunks (assuming they are already sorted)
- 18:3418:34, 19 July 2019 diff hist 0 Creating Maps on SmallWorld →Step 3-4 Combined: Rather than concatenating and sorting, merge the map file chunks (assuming they are already sorted)
- 18:3418:34, 19 July 2019 diff hist +132 Creating Maps on SmallWorld →Step 3-4 Combined: Rather than concatenating and sorting, merge the map file chunks (assuming they are already sorted)
- 18:3318:33, 19 July 2019 diff hist +711 Creating Maps on SmallWorld No edit summary
15 July 2019
- 22:2922:29, 15 July 2019 diff hist 0 Creating Maps on SmallWorld →Step 2: Processing large SMILES files in SmallWorld GREATER than 1 Billion
- 22:2822:28, 15 July 2019 diff hist +23 Creating Maps on SmallWorld →Step 2: Processing large SMILES files in SmallWorld
- 18:0518:05, 15 July 2019 diff hist +53 Creating Maps on SmallWorld →Step 6: Move the file to the final location
- 18:0518:05, 15 July 2019 diff hist +221 Creating Maps on SmallWorld →Step 5: Copy the completed file back to /ex9
12 July 2019
- 21:5221:52, 12 July 2019 diff hist +243 Creating Maps on SmallWorld →Step 2: Generate the map files
- 21:4921:49, 12 July 2019 diff hist +8 Creating Maps on SmallWorld →Processing large SMILES files in SmallWorld
- 21:4921:49, 12 July 2019 diff hist +4 Creating Maps on SmallWorld →Step 5: Copy the completed file back to /ex9
- 21:4921:49, 12 July 2019 diff hist +423 Creating Maps on SmallWorld →Processing large SMILES files in SmallWorld
- 21:3721:37, 12 July 2019 diff hist +720 Creating Maps on SmallWorld →Important! Currently, we only run SmallWorld map generation on n-9-22
- 21:3121:31, 12 July 2019 diff hist +14 Creating Maps on SmallWorld →Step 2: Process the chunks in SmallWorld using the command above
- 21:2521:25, 12 July 2019 diff hist +32 Creating Maps on SmallWorld No edit summary
- 21:2421:24, 12 July 2019 diff hist +231 Creating Maps on SmallWorld →What if you already created a .anon.map file from your new smiles, and simply want to combine the two separate .anon.map files into a single .anon.map file?
- 21:2221:22, 12 July 2019 diff hist +19 Creating Maps on SmallWorld →Step 2: Process the chunks in SmallWorld using the command above
- 21:2121:21, 12 July 2019 diff hist +455 Creating Maps on SmallWorld →Processing large SMILES files in SmallWorld
- 21:1221:12, 12 July 2019 diff hist −1 Creating Maps on SmallWorld →Step 2: Process the chunks in SmallWorld using the command above
- 21:1221:12, 12 July 2019 diff hist +1,355 Creating Maps on SmallWorld →Step 2: Generate the map files
- 20:2720:27, 12 July 2019 diff hist +350 Tomcat Installation on CentOS 6 No edit summary
11 July 2019
- 21:0721:07, 11 July 2019 diff hist +200 Tomcat Installation on CentOS 6 →What if n-9-22 is restarted / rebooted?
- 20:5720:57, 11 July 2019 diff hist +529 Tomcat Installation on CentOS 6 No edit summary
- 20:4520:45, 11 July 2019 diff hist +48 Tomcat Installation on CentOS 6 →Where to get information if the server is currently running?
- 20:4520:45, 11 July 2019 diff hist +259 Tomcat Installation on CentOS 6 →Introduction
- 20:4220:42, 11 July 2019 diff hist +287 Tomcat Installation on CentOS 6 →How to Restart the TomCat Server
- 20:4020:40, 11 July 2019 diff hist +1,375 N Tomcat Installation on CentOS 6 Created page with "=Introduction= The Tomcat server runs on n-9-22. I used the guide at this link https://www.itzgeek.com/how-tos/linux/centos-how-tos/install-apache-tomcat-7-0-on-rhel-6-centos..."
26 June 2019
- 20:3720:37, 26 June 2019 diff hist +146 SmallWorld Documentation for Future Developer No edit summary
20 June 2019
- 22:2522:25, 20 June 2019 diff hist −14 How to use SmallWorld API →Introduction
- 22:2122:21, 20 June 2019 diff hist +21 How to use SmallWorld API →Important! Once you run the /search/submit the most important value is the hlid
- 21:5021:50, 20 June 2019 diff hist +46 How to use SmallWorld API →/search/view
- 21:5021:50, 20 June 2019 diff hist +3,923 How to use SmallWorld API No edit summary
- 21:4721:47, 20 June 2019 diff hist +41 How to use SmallWorld API →Important! Once you run the /search/submit the most important value is the hlid
- 21:4721:47, 20 June 2019 diff hist +31 How to use SmallWorld API →Example Request
- 21:4721:47, 20 June 2019 diff hist +157 How to use SmallWorld API →Example Request
- 21:4321:43, 20 June 2019 diff hist +199 How to use SmallWorld API →Important! Once you run the /search/submit the most important value is the hlid
- 21:4121:41, 20 June 2019 diff hist 0 How to use SmallWorld API →Important! Once you run the /search/submit the most important value is the hlid
- 21:4121:41, 20 June 2019 diff hist +3 How to use SmallWorld API →Example Request
- 21:4121:41, 20 June 2019 diff hist +730 How to use SmallWorld API →Example Request
- 21:1621:16, 20 June 2019 diff hist +11 How to use SmallWorld API →/search/export
- 21:1421:14, 20 June 2019 diff hist +2,114 How to use SmallWorld API →/search/export
- 21:0221:02, 20 June 2019 diff hist 0 How to use SmallWorld API No edit summary
- 20:5920:59, 20 June 2019 diff hist 0 How to use SmallWorld API →Important! Once you run the /search/submit the most important value is the hlid
- 20:5920:59, 20 June 2019 diff hist −9 How to use SmallWorld API →Example Request
- 20:5620:56, 20 June 2019 diff hist 0 How to use SmallWorld API →Important! Once you run the /search/submit the most important value is the hlid
- 20:5520:55, 20 June 2019 diff hist 0 How to use SmallWorld API →Important! Once you run the /search/submit the most important value is the hlid
- 20:5420:54, 20 June 2019 diff hist +3,958 How to use SmallWorld API →/search/export
- 17:3317:33, 20 June 2019 diff hist +2 How to use SmallWorld API →/search/config
- 17:3217:32, 20 June 2019 diff hist +50 How to use SmallWorld API →Introduction
- 16:3216:32, 20 June 2019 diff hist +304 How to use SmallWorld API No edit summary
- 15:0415:04, 20 June 2019 diff hist +785 How to use SmallWorld API No edit summary
- 14:5614:56, 20 June 2019 diff hist +1,242 How to use SmallWorld API →Example Request
- 14:5314:53, 20 June 2019 diff hist +407 How to use SmallWorld API No edit summary
- 14:4414:44, 20 June 2019 diff hist +619 How to use SmallWorld API →/search/submit
- 14:3414:34, 20 June 2019 diff hist +135 How to use SmallWorld API No edit summary
- 14:3014:30, 20 June 2019 diff hist +829 N How to use SmallWorld API Created page with "==Introduction== The Web Services API for SmallWorld Documentation is found in Section 8.3 of the SmallWorld version 4.0 manual starting from page 30 to 36. I copied the sec..."
14 May 2019
- 17:3117:31, 14 May 2019 diff hist +122 SmallWorld Documentation for Future Developer →Running SmallWorld from the Command Line
- 17:2817:28, 14 May 2019 diff hist −14 Creating Maps on SmallWorld No edit summary
- 17:1717:17, 14 May 2019 diff hist −43 SmallWorld Documentation for Future Developer →Running SmallWorld from the Command Line
13 May 2019
- 21:1321:13, 13 May 2019 diff hist 0 m Creating Maps on SmallWorld →Step 2.5 Incremental Updates
- 21:1121:11, 13 May 2019 diff hist +83 Creating Maps on SmallWorld →Install
- 21:0921:09, 13 May 2019 diff hist +217 Creating Maps on SmallWorld No edit summary
- 21:0421:04, 13 May 2019 diff hist +409 Creating Maps on SmallWorld →Step 2.5 Incremental Updates
- 20:3120:31, 13 May 2019 diff hist +99 Creating Maps on SmallWorld →Step 2.5 Incremental Updates
- 18:3218:32, 13 May 2019 diff hist +73 Creating Maps on SmallWorld →You can run this script on any machine
9 May 2019
8 May 2019
- 22:5122:51, 8 May 2019 diff hist +630 SmallWorld Documentation for Future Developer No edit summary
- 18:4018:40, 8 May 2019 diff hist −3 m Creating Maps on SmallWorld →Make a copy and modify the bash script below with the name of your new map file
- 18:4018:40, 8 May 2019 diff hist −5 Creating Maps on SmallWorld →If you have a new SMILES file .smi that you want to combine with an existing map file, first run the map command in Step 2 for the new file.
- 18:1818:18, 8 May 2019 diff hist +575 Creating Maps on SmallWorld →Step 2.5 Incremental Updates
6 May 2019
- 19:0019:00, 6 May 2019 diff hist +151 Creating Maps on SmallWorld →Step 2: Generate the map files
- 18:5718:57, 6 May 2019 diff hist +9 Creating Maps on SmallWorld →Step 2: Generate the map files
- 18:5618:56, 6 May 2019 diff hist +336 Creating Maps on SmallWorld →Step 2: Generate the map files
- 18:3718:37, 6 May 2019 diff hist +419 Creating Maps on SmallWorld No edit summary
- 18:1918:19, 6 May 2019 diff hist −1 SmallWorld Documentation for Future Developer →Creating Maps on SmallWorld=
- 18:1918:19, 6 May 2019 diff hist +129 m SmallWorld Documentation for Future Developer No edit summary
- 18:1718:17, 6 May 2019 diff hist +1,041 Creating Maps on SmallWorld →Run
- 17:4517:45, 6 May 2019 diff hist +7 Creating Maps on SmallWorld →Step 2: Generate the map files
- 17:2017:20, 6 May 2019 diff hist +52 SmallWorld Documentation for Future Developer →How to Restart the SmallWorld WebApp
- 17:1017:10, 6 May 2019 diff hist +86 SmallWorld Documentation for Future Developer →How to Restart the SmallWorld WebApp
- 17:1017:10, 6 May 2019 diff hist +306 SmallWorld Documentation for Future Developer →How to Restart the TomCat Server
23 April 2019
- 23:4423:44, 23 April 2019 diff hist +292 SmallWorld Documentation for Future Developer →Modifying the SmallWorld GUI
- 22:1822:18, 23 April 2019 diff hist +1,812 N SmallWorld Documentation for Future Developer Created page with "Written by Jennifer Young on April 23, 2019 ==Install and Set Up on TomCat== ===Step 1: Check the CentOS version and Java version === SmallWorld currently runs on n-9-22, whi..."
10 April 2019
- 19:2419:24, 10 April 2019 diff hist +1 Creating Maps on SmallWorld →Step 1: Create the /sw directory
- 19:2419:24, 10 April 2019 diff hist +11 Creating Maps on SmallWorld →Step 1: Create the /sw directory
- 19:2319:23, 10 April 2019 diff hist +4 Creating Maps on SmallWorld →Step 1: Create the /sw directory
- 19:2319:23, 10 April 2019 diff hist +133 Creating Maps on SmallWorld →Step 1: Create the /sw directory
- 19:1919:19, 10 April 2019 diff hist +6 Creating Maps on SmallWorld No edit summary
- 19:1819:18, 10 April 2019 diff hist −1 Creating Maps on SmallWorld →Step 1: Set SWDIR environment variable
- 19:1819:18, 10 April 2019 diff hist +1,526 N Creating Maps on SmallWorld Created page with "Written by Jennifer Young on April 10, 2019 ==Install== ===Step 1: Create the /sw directory=== SmallWorld requires a /sw directory which contains /anon and /maps The /sw dire..."
11 October 2018
- 17:5517:55, 11 October 2018 diff hist +151 TLDR →Dude
10 October 2018
- 18:3518:35, 10 October 2018 diff hist +1 m Calculate volume of the binding site and molecules →Calculating the volume of a binding site.
- 17:0817:08, 10 October 2018 diff hist 0 m Calculate volume of the binding site and molecules No edit summary
30 August 2018
- 23:1723:17, 30 August 2018 diff hist +296 TLDR →Blaster
- 21:5921:59, 30 August 2018 diff hist +40 m TLDR No edit summary
- 21:4821:48, 30 August 2018 diff hist −1 DUDE No edit summary
28 August 2018
- 17:3117:31, 28 August 2018 diff hist +1 TLDR →Analog
- 17:3017:30, 28 August 2018 diff hist 0 TLDR →Analog