Getting started with the dock blaster toolchain: Difference between revisions
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* 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]] | ||
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