Mercurial > repos > marpiech > norwich_docking_tools

diff galaxy-tools/tools/rdock/bin/make_grid.csh @ 0:4eb3f9cb2a51 draft

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author dzesikah
date Fri, 26 Aug 2016 09:53:37 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/galaxy-tools/tools/rdock/bin/make_grid.csh	Fri Aug 26 09:53:37 2016 -0400
@@ -0,0 +1,11 @@
+#!/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