VMDscripts/take_snap.tcl at master · farrimoh/VMDscripts · GitHub

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proc CapsidPolymer {} {
	for {set k 0} {$k < 13} {incr k} {
        	mol delrep 0 all
        }


    mol addrep 0
	mol modselect 0 0 type M
	mol modstyle 0 0 VDW 1.000000 20.000000
	mol modcolor 0 0 ColorID 0
	mol modmaterial 0 0 Glossy
	mol addrep 0
	mol modselect 1 0 type C and within 2 of type P PS
	mol modstyle 1 0 VDW 1.000000 20.000000
	mol modcolor 1 0 ColorID 0
	mol modmaterial 1 0 Glossy
	mol addrep 0
	mol modselect 2 0 type A
	mol modstyle 2 0 VDW 1.000000 20.000000
	mol modcolor 2 0 ColorID 0
	mol modmaterial 2 0 Glossy
	mol addrep 0
	mol modselect 3 0 type B
	mol modstyle 3 0 VDW 1.000000 20.000000
	mol modcolor 3 0 ColorID 1
	mol modmaterial 3 0 Glossy
	mol addrep 0
	mol modselect 4 0 type T
	mol modstyle 4 0 VDW 1.000000 20.000000
	mol modcolor 4 0 ColorID 4
	mol modmaterial 4 0 Glossy
	mol addrep 0
	mol modselect 5 0 type X and within 1.2 of type T and within 2 of type P PS
	mol modstyle 5 0 VDW 1.000000 20.000000
	mol modcolor 5 0 ColorID 0
	mol modmaterial 5 0 Glossy
	mol addrep 0
	mol modselect 6 0 type P
	mol modstyle 6 0 VDW 1.000000 20.000000
	mol modcolor 6 0 ColorID 1
	mol modmaterial 6 0 Glossy
	mol addrep 0
	mol modselect 7 0 type PS
	mol modstyle 7 0 VDW 1.000000 20.000000
	mol modcolor 7 0 ColorID 1
	mol modmaterial 7 0 Glossy
	mol addrep 0
	mol modselect 8 0 type R and within 2 of type P PS
	mol modstyle 8 0 VDW 1.000000 20.000000
	mol modcolor 8 0 ColorID 4
	mol modmaterial 8 0 Glossy
	mol addrep 0
	mol modselect 9 0 type RA and within 2 of type P PS
	mol modstyle 9 0 VDW 1.000000 20.000000
	mol modcolor 9 0 ColorID 4
	mol modmaterial 9 0 Glossy
	mol addrep 0
	mol modselect 10 0 type N
	mol modstyle 10 0 VDW 1.000000 20.000000
	mol modcolor 10 0 ColorID 3
	mol modmaterial 10 0 Glossy
	mol addrep 0
	mol modselect 11 0 type Q
	mol modstyle 11 0 VDW 1.000000 20.000000
	mol modcolor 11 0 ColorID 1
	mol modmaterial 11 0 Glossy
	mol addrep 0
	mol modselect 12 0 type X3
	mol modstyle 12 0 VDW 1.000000 20.000000
	mol modcolor 12 0 ColorID 3
	mol modmaterial 12 0 Glossy
	set sel0 [atomselect top "name M"]
	$sel0 set radius 0
	set sel1 [atomselect top "name C"]
	$sel1 set radius 0.1
	set sel2 [atomselect top "name A"]
	$sel2 set radius 0
	set sel3 [atomselect top "name B"]
	$sel3 set radius 0
	set sel4 [atomselect top "name T"]
	$sel4 set radius 0
	set sel5 [atomselect top "name X"]
	$sel5 set radius 0.35
	set sel6 [atomselect top "name P"]
	$sel6 set radius .15
	set sel7 [atomselect top "name PS"]
	$sel7 set radius .15
	set sel8 [atomselect top "name R"]
	$sel8 set radius .1
	set sel9 [atomselect top "name RA"]
	$sel9 set radius .1
	set sel10 [atomselect top "name N"]
	$sel10 set radius 0
	set sel11 [atomselect top "name Q"]
	$sel11 set radius 0
	set sel12 [atomselect top "name X3"]
	$sel12 set radius 0

    display projection Orthographic
    display depthcue off
    display resize 800 800
    color Display Background white
    axes location off
}


proc onesnap {f} {

	set datfile1 onesnap.[format "%04d" $f].dat
	set tgafile1 onesnap.[format "%04d" $f].tga
	render Tachyon $datfile1 "/usr/local/lib/vmd/tachyon_LINUXAMD64" -trans_max_surfaces 1 $datfile1 -format TARGA -o $tgafile1
	exec rm $datfile1
}