Getting started with the dock blaster toolchain: Difference between revisions

From DISI
Jump to navigation Jump to search
No edit summary
 
No edit summary
 
(3 intermediate revisions by 2 users not shown)
Line 2: Line 2:


* on sgehead or sgehead2
* on sgehead or sgehead2
* in your .login file, add
* in your .login file, add towards the end:


   setenv DOCK_BASE ~xyz/dockenv
   setenv DOCK_BASE ~xyz/dockenv
   source $DOCK_BASE/etc/login
   source $DOCK_BASE/etc/login
This is John's live version of the scripts.  To use a slightly older, but unchanging version, use instead:
  setenv DOCK_BASE /raid1/soft/dockenv


* mkdir work; cd work
* mkdir work; cd work
Line 17: Line 22:
-- John
-- John


[[Category:DOCK]]
[[Category:DOCK 3.6]]
[[Category:Internal]]
[[Category:DOCK Blaster]]
[[Category:DOCK Blaster]]
[[Category:Internal]]
[[Category:UNIX]]

Latest revision as of 07:24, 13 March 2014

To get started with the DOCK Blaster tool chain:

  • on sgehead or sgehead2
  • in your .login file, add towards the end:
 setenv DOCK_BASE ~xyz/dockenv
 source $DOCK_BASE/etc/login


This is John's live version of the scripts. To use a slightly older, but unchanging version, use instead:

  setenv DOCK_BASE /raid1/soft/dockenv
  • mkdir work; cd work
  • mkdir project1; cd project1
  • create rec_original.pdb and xtal-lig_original.mol2
  • paranoia.csh `pwd`
  • startdockblaster4

This is how it is as of July 17, 2010. The procedure does drift over time, so please check with people in the lab.

-- John