User contributions for Frodo

25 February 2014

• 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
• 16:3716:37, 24 February 2014 diff hist +139‎ OGS/GE ‎No edit summary
• 16:3616:36, 24 February 2014 diff hist +254‎ N OGS/GE ‎ Created page with "Open Grid Scheduler / Grid Engine is the open source batch queuing system that succeeds the Sun Grid Engine. It is available at [http://gridscheduler.sourceforge.net gridsched..."
• 16:3516:35, 24 February 2014 diff hist +45‎ Getting started with DOCK 3.7 ‎No edit summary
• 16:2716:27, 24 February 2014 diff hist −4‎ Getting started with DOCK 3.7 ‎ →‎Test 2: Docking preparation from receptor and ligand alone
• 16:1116:11, 24 February 2014 diff hist +245‎ N RDKit ‎ Created page with "Rdkit is an incredibly useful cheminformatics software package available from [http://rdkit.org it's website]] or from [http://github.org/rdkit/rdkit github]]. [[Catego..."
• 16:0916:09, 24 February 2014 diff hist +51‎ Getting started with DOCK 3.7 ‎No edit summary
• 16:0716:07, 24 February 2014 diff hist +335‎ Python ‎No edit summary
• 16:0516:05, 24 February 2014 diff hist +439‎ N Python ‎ Created page with "Python is probably the single most useful programming language you can learn today. Most of our new code is written in Python. The interface to many programs we use such as [..."
• 16:0216:02, 24 February 2014 diff hist −107‎ Getting started with DOCK 3.7 ‎No edit summary
• 15:5915:59, 24 February 2014 diff hist +34‎ PyMol ‎No edit summary