Mercurial > repos > marpiech > norwich_tools_docking2

annotate tools/rdock/bin/make_grid.csh @ 2:7e52b8fb2df4 draft

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author marpiech
date Mon, 29 Aug 2016 08:42:13 -0400
parents 30e2440b2173
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1 #!/bin/csh -f
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2 # Creates vdW grids for all receptor prm files listed on command line
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3 #
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4 set gridstep = 0.3
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5 set border = 1.0
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6
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7 foreach grid ('vdw1' 'vdw5')
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8 foreach file ($argv)
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9 $RBT_ROOT/bin/rbcalcgrid -r${file} -pcalcgrid_${grid}.prm -o_${grid}.grd -g${gridstep} -b${border}
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10 end
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11 end