clip_supercell.vmd

#!/bin/tclsh
#not working perfectly yet. problems with the clipping planes
proc create_supercell { molIn abc x y z} {
   pbc set "$abc" -all
   set newmol [::TopoTools::replicatemol $molIn $x $y $z]
}
proc CLIP_X {molIn dist1 dist2} {
   set CELL [molinfo $molIn get { a b c}]
   set X [lindex $CELL 0]
   ::ClipTool::cliptool
set ::ClipTool::whichclip 0
   set ::ClipTool::clip_on(0)
   set ::ClipTool::clip_distance(0) $dist1
   set ::ClipTool::clip_normal(0) {1 0 0}
::ClipTool::update_clipplane
set ::ClipTool::whichclip 1
   set ::ClipTool::clip_on(1)
   set ::ClipTool::clip_distance(1) $dist2
   set ::ClipTool::clip_normal(1) {-1 0 0}
::ClipTool::update_clipplane
}
proc clip_super {molIn x y z} {
   set CELL [molinfo $molIn get { a b c}]
   create_supercell $molIn "$CELL" $x $y $z
   set X [lindex $CELL 0]
   CLIP_X $molIn [expr { $X * -0.6 }] [expr { $X * -0.92 }]
}