Mercurial > repos > marpiech > norwich_tools_dock

view tools/rdock/bin/make_grid.csh @ 0:75f2b4087722 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload commit 781926e52355f7805db8d9a4ccafeff397b19aa4-dirty
author marpiech
date Tue, 30 Aug 2016 03:18:58 -0400
parents
children
line wrap: on
line source

#!/bin/csh -f
# Creates vdW grids for all receptor prm files listed on command line
#
set gridstep = 0.3
set border = 1.0

foreach grid ('vdw1' 'vdw5') 
  foreach file ($argv)
      $RBT_ROOT/bin/rbcalcgrid -r${file} -pcalcgrid_${grid}.prm -o_${grid}.grd -g${gridstep} -b${border}
  end
end