User contributions for Frodo

27 February 2014

• 21:3421:34, 27 February 2014 diff hist −187‎ About our cluster ‎No edit summary

25 February 2014

• 18:0218:02, 25 February 2014 diff hist +73‎ DOCK 3.7 ‎ →‎Molecular docking
• 18:0118:01, 25 February 2014 diff hist +26‎ DOCK 3.7 ‎ →‎Molecular docking
• 18:0018:00, 25 February 2014 diff hist +29‎ DOCK 3.7 ‎ →‎Molecular library preparation for docking
• 17:5617:56, 25 February 2014 diff hist +94‎ Running docking 3.7 ‎No edit summary current
• 17:3417:34, 25 February 2014 diff hist +554‎ N Running docking 3.7 ‎ Created page with "To set up directories for docking using DOCK 3.7, use: setup_db2_lots.py <num_dirs> <prefix> /path/to/db2/files Then to start the docking using the queuing system sub..."
• 17:2817:28, 25 February 2014 diff hist +159‎ N Ligand preparation 3.7 ‎ Created page with "To build a db2 format database from SMILES for use by DOCK 3.7, use: build_smiles_ligand <smiles_file.smi> Return to DOCK 3.7 Category:Tutorial"
• 04:3704:37, 25 February 2014 diff hist +194‎ DOCK 3.7 ‎ →‎Highest level scripts
• 04:3404:34, 25 February 2014 diff hist −6‎ Blastermaster ‎ →‎Simple default usage
• 04:3304:33, 25 February 2014 diff hist +3,500‎ N OUTDOCK 3.7 ‎ Created page with " = Explanation of header = Here we explain line by line the meaning of the header in the OUTDOCK 3.7 file. DOCK v. 3.7, compiled 20140211 Version of program, date create..." current
• 04:2304:23, 25 February 2014 diff hist +36‎ DOCK 3.7 ‎ →‎Molecular docking
• 04:1604:16, 25 February 2014 diff hist +155‎ Getting started with DOCK 3.7 ‎ →‎Test 4. Dock custom library
• 03:1103:11, 25 February 2014 diff hist +139‎ Getting started with DOCK 3.7 ‎No edit summary
• 00:5200:52, 25 February 2014 diff hist +10‎ DOCK 3.7 ‎ →‎Protein preparation for docking
• 00:5200:52, 25 February 2014 diff hist +266‎ DOCK 3.7 ‎No edit summary
• 00:4900:49, 25 February 2014 diff hist +367‎ N Be blasti ‎ Created page with "be_blasti is a script to download a PDB entry, locate the receptor and ligand, and prepare other files for docking using blastermaster Author: Trent Balius, based on an o..."
• 00:3400:34, 25 February 2014 diff hist +41‎ Getting started with DOCK 3.7 ‎No edit summary
• 00:1000:10, 25 February 2014 diff hist +42‎ OGS/GE ‎No edit summary
• 00:1000:10, 25 February 2014 diff hist +33‎ Get a queuing system working ‎No edit summary
• 00:0900:09, 25 February 2014 diff hist +20‎ N SGE ‎ Redirected page to OGS/GE current

24 February 2014

• 23:4923:49, 24 February 2014 diff hist +651‎ N Get a queuing system working ‎ Created page with "Here is how to get a queuing system up and running, our way, and integrate it with [[DOCK 3.7]. We assume you have already [[build a computer cluster | built a computer clust..."
• 23:4123:41, 24 February 2014 diff hist +503‎ Getting started with DOCK 3.7 ‎No edit summary
• 23:3623:36, 24 February 2014 diff hist +1‎ RDKit ‎No edit summary
• 23:3523:35, 24 February 2014 diff hist +21‎ RDKit ‎No edit summary
• 23:3523:35, 24 February 2014 diff hist +6‎ Chemical informatics ‎ Redirected page to Category:Cheminformatics current
• 23:3423:34, 24 February 2014 diff hist +12‎ OEChem ‎No edit summary
• 23:3423:34, 24 February 2014 diff hist +134‎ OEChem ‎No edit summary
• 23:3223:32, 24 February 2014 diff hist +21‎ N OpenEye Scientific Software ‎ Redirected page to OpenEye current
• 23:3123:31, 24 February 2014 diff hist +35‎ OpenEye ‎No edit summary
• 23:2923:29, 24 February 2014 diff hist +16‎ Getting started with DOCK 3.7 ‎No edit summary
• 23:2823:28, 24 February 2014 diff hist −249‎ Getting started with DOCK 3.7 ‎No edit summary
• 23:2523:25, 24 February 2014 diff hist +17‎ Getting started with DOCK 3.7 ‎No edit summary
• 23:2223:22, 24 February 2014 diff hist −3‎ Getting started with DOCK 3.7 ‎No edit summary
• 23:2123:21, 24 February 2014 diff hist −39‎ Getting started with DOCK 3.7 ‎No edit summary
• 23:1823:18, 24 February 2014 diff hist +592‎ Getting started with DOCK 3.7 ‎No edit summary
• 23:0523:05, 24 February 2014 diff hist −96‎ Getting started with DOCK 3.7 ‎ →‎set up .cshrc (or .bashrc equivalent)
• 22:4422:44, 24 February 2014 diff hist +120‎ Getting started with DOCK 3.7 ‎ →‎Acquire 3rd party software
• 22:3822:38, 24 February 2014 diff hist +422‎ Centos ‎No edit summary
• 22:3422:34, 24 February 2014 diff hist +84‎ Python ‎No edit summary
• 22:3322:33, 24 February 2014 diff hist +19‎ m Getting started with DOCK 3.7 ‎No edit summary
• 21:4321:43, 24 February 2014 diff hist +196‎ Supported platforms for DOCK 3.7 ‎No edit summary
• 21:4021:40, 24 February 2014 diff hist +2‎ Supported platforms for DOCK 3.7 ‎ →‎Support requested
• 21:4021:40, 24 February 2014 diff hist +214‎ N Supported platforms for DOCK 3.7 ‎ Created page with "= Support = * Centos 6.3 = Support planned - May 2014 = * OSX (Mac) * = Support requested = * Debian * Raspbian * make your suggestion here Category:Internal [[C..."
• 21:3221:32, 24 February 2014 diff hist +34‎ Molinspiration ‎No edit summary
• 21:3121:31, 24 February 2014 diff hist +207‎ OGS/GE ‎No edit summary
• 21:3021:30, 24 February 2014 diff hist +97‎ Getting started with DOCK 3.7 ‎ →‎Acquire 3rd party software
• 21:2721:27, 24 February 2014 diff hist +442‎ N Vbox windows ‎ Created page with "How to manage your Virtual Box running Windows from outside the lab. 1. ssh to a portal $ ssh <userid>@<your_desktop> vboxmanage startvm LabWindows 2. To power off the VM ..." current
• 21:2321:23, 24 February 2014 diff hist +313‎ N Disk Quotas ‎ Created page with "Quota management on XFS disks: xfs_quota -xc 'limit bsoft=1t bhard=1.5t teague' /raidb xfs_quota -xc report /raidb xfs_quota -xc help Also see the website: [https://acc..."
• 16:5616:56, 24 February 2014 diff hist +227‎ N Centos ‎ Created page with "We develop on and recommend Centos. Our software should work on * RedHat (versions) * It should be possible to use MacOS, but we are still not quite ready. We do not sup..."
• 16:4016:40, 24 February 2014 diff hist +51‎ Getting started with DOCK 3.7 ‎ →‎Acquire 3rd party software