Mercurial > repos > marpiech > norwich_tools

diff tools/rdock/bin/make_grid.csh @ 0:bc03dbb6eb37 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 Mon, 29 Aug 2016 03:38:13 -0400
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/tools/rdock/bin/make_grid.csh	Mon Aug 29 03:38:13 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