Mercurial > repos > marpiech > norwich_docking_tools

view galaxy-tools/tools/rdock/bin/make_grid.csh @ 1:ad4bc82457e5 draft

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author dzesikah
date Fri, 26 Aug 2016 09:55:15 -0400
parents 4eb3f9cb2a51
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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