Getting started with the dock blaster toolchain

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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