/usr/bin/tkmolrender is in mpqc-support 2.3.1-16build1.
This file is owned by root:root, with mode 0o755.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 | #!/usr/bin/wish
wm title . "MolRender"
set level 3
set model "ball"
set inputoption "-keyval"
set inputfile "molrender.in"
set keyvalkey "molecule"
proc make_inputoption { w } {
frame $w.frame -borderwidth 10
label $w.label -text "Input File Type"
pack $w.label $w.frame -side top -pady 2
radiobutton $w.frame.pdb -text "PDB File" -variable inputoption -value "-pdb" -relief flat
radiobutton $w.frame.keyval -text "KeyVal File" -variable inputoption -value "-keyval" -relief flat
pack $w.frame.pdb $w.frame.keyval -side top -pady 2 -expand yes -fill both
}
proc make_model { w } {
frame $w.frame -borderwidth 10
label $w.label -text "Model"
pack $w.label $w.frame -side top -pady 2
radiobutton $w.frame.ball -text "Ball" -variable model -value "ball" -relief flat
radiobutton $w.frame.stick -text "Stick" -variable model -value "stick" -relief flat
radiobutton $w.frame.connolly -text "Connolly" -variable model -value "connolly" -relief flat
pack $w.frame.ball $w.frame.stick $w.frame.connolly -side top -pady 2 -expand yes -fill both
}
proc make_level { w } {
frame $w.frame -borderwidth 10
label $w.label -text "Sphere Subdivision Level"
pack $w.label $w.frame -side top -pady 2
radiobutton $w.frame.a -text "1" -variable level -value 1 -relief flat
radiobutton $w.frame.b -text "2" -variable level -value 2 -relief flat
radiobutton $w.frame.c -text "3" -variable level -value 3 -relief flat
radiobutton $w.frame.d -text "4" -variable level -value 4 -relief flat
radiobutton $w.frame.e -text "5" -variable level -value 5 -relief flat
pack $w.frame.a $w.frame.b $w.frame.c $w.frame.d $w.frame.e -side top -pady 2 -expand yes -fill both
}
proc render {} {
global model inputoption inputfile level keyvalkey
#puts stdout "molrender -quiet -model $model -keyword $keyvalkey $inputoption $inputfile -level $level"
set result [exec /usr/bin/molrender -quiet -render oogl -model $model -keyword $keyvalkey $inputoption $inputfile -level $level]
#puts stdout "(geometry $model $result)"
flush stdout
}
proc clear {} {
#puts stdout "(geometry ball {})"
#puts stdout "(geometry stick {})"
#puts stdout "(geometry connolly {})"
#flush stdout
}
proc done {} {
destroy .
}
frame .inputarea
frame .inputarea.inputoption
frame .inputarea.model
frame .inputarea.level
make_inputoption .inputarea.inputoption
make_model .inputarea.model
make_level .inputarea.level
frame .inputfile
label .inputfile.label -text "Input File:"
entry .inputfile.entry -relief sunken -textvariable inputfile
pack .inputfile.label .inputfile.entry -side left -expand yes -fill both
frame .keyvalkey
label .keyvalkey.label -text "Keyword:"
entry .keyvalkey.entry -relief sunken -textvariable keyvalkey
pack .keyvalkey.label .keyvalkey.entry -side left -expand yes -fill both
frame .buttons
button .buttons.render -text "Render" -command render
button .buttons.clear -text "Clear" -command clear
button .buttons.done -text "Done" -command done
pack .buttons.render .buttons.clear .buttons.done -side left -padx 2 -expand yes -fill both
pack .inputarea.inputoption .inputarea.model .inputarea.level -side left -padx 2 -expand yes -fill both
pack .inputarea .inputfile .keyvalkey .buttons -side top -pady 2
clear
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