Mercurial > repos > marpiech > norwich_tools_dock

view tools/rdock/bin/make_grid.csh @ 5:a2f9c8a46a4b draft default tip

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planemo upload commit b9501ecca66b6a66c8cb87b945ad5f95181d7790-dirty
author marpiech
date Thu, 06 Oct 2016 07:09:26 -0400
parents 75f2b4087722
children
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#!/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