DOCK 3.7 2016/09/16 abl1 Tutorial(building): Difference between revisions
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This tutorial uses the DOCK-3.7-beta3. This is a supplemental tutorial for DOCK 3.7 2015/04/15 abl1 Tutorial. Former one works well and is very simple and clear | This tutorial uses the DOCK-3.7-beta3. This is a supplemental tutorial for DOCK 3.7 2015/04/15 abl1 Tutorial. Former one works well and is very simple and clear. This tutorial mentions some updates in job submissions. | ||
This is for a Linux environment and the scripts assume that you are running on SGE queueing system. | This is for a Linux environment and the scripts assume that you are running on SGE queueing system. | ||
== | == Submit an enrichment calculation via new 0003.lig-decoy_enrichment.csh == | ||
* Go to the working directory of your account | * Go to the working directory of your account | ||
Revision as of 22:38, 17 September 2016
This tutorial uses the DOCK-3.7-beta3. This is a supplemental tutorial for DOCK 3.7 2015/04/15 abl1 Tutorial. Former one works well and is very simple and clear. This tutorial mentions some updates in job submissions.
This is for a Linux environment and the scripts assume that you are running on SGE queueing system.
Submit an enrichment calculation via new 0003.lig-decoy_enrichment.csh
- Go to the working directory of your account
cd /nfs/home/$USERNAME/work
PS: $USERNAME is your username log on the cluster.
- Create directory called "DOCK_tutorial"
mkdir DOCK_tutorial
Get databases
- There are two ways to get databases:
1. get databases via the script autodude_db_download.py in the DOCK 3.7