set beg 0 set skip 1 # set end -1 set end -1 # mol new PORE.dx set prefix output/dna-65-70 #set dnaLength 1 set IDs [mol new dna-65-70.psf ] # set files [sortFileGlob $prefix.dcd] source loadRigidBody.procs.tcl dcd $prefix.0.dcd skip $skip beg $beg end $end set files [sortFileGlob $prefix.rb-traj] puts "loading $files" set rbIDs [loadTrajectory $files [lindex $IDs 0] $skip $beg $end] # loadTrajectoryRbFrame $files [lindex $IDs 0] $skip $beg $endo foreach ID $IDs { set sel [atomselect $ID all] set beta "" foreach r [$sel get resid] { lappend beta [expr $r%10 + double($r)/10] } $sel set beta $beta set sel [atomselect $ID "name P0 P1"] $sel set radius 2.5 set sel [atomselect $ID "name B0 B1"] $sel set radius 2 # mol color Beta mol color Name # mol color Index mol selection all mol selection "name P0 B0 P1 B1" mol material AOChalky # mol representation VDW 3.000000 12.000000 # mol representation VDW 0.8 mol representation Licorice 1.3 mol modrep 0 $ID # mol delrep 0 $ID # mol representation Licorice 0.6 # mol addrep $ID } # mol color Beta # mol color ColorID 0 mol color SegName # mol color Molecule mol selection "protein or nucleic" mol material AOChalky # mol material GlassBubble # mol representation VDW 0.8 # mol representation QuickSurf # mol representation VDW 2.000000 12.000000 # mol representation NewCartoon mol representation QuickSurf 1.000000 0.500000 1.900000 1.000000 foreach rbID $rbIDs { # mol color ColorId $rbID mol modrep 0 $rbID } color Display Background white color Name P green color Name B green2 color change rgb green2 0.7 0.9 0.7 color Segname APRO cyan color Segname BPRO blue color Segname CPRO cyan3 color Segname DPRO blue3 light 0 off display depthcue off display backgroundgradient off display shadows on display ambientocclusion on display aoambient 0.6 display aodirect 0.6 proc smooth {{s 3}} { smoothReps $s smoothRot $s } #centerRB ssb #package require pbctools #pbc set {200.0 200.0 200.0} -all #animate goto 0 #pbc join -now #pbc wrap -now #pbc unwrap -first now #pbc unwrap -all -molid 0 -sel "name P0 P1 B1 B0"