VMD-L Mailing List

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Tue Mar 22 2016 - 05:26:44 CDT

Hi!

You will have to learn TCL scripting.
File -> Log TCL Commands is immensely useful for this.

I don't know if Im helping or hindering your learning, but I'm attaching a
script that clones all representations of the top molecule to all other
molecules.

Best,
Ajasja
_________

#
# Save all representations and their complete settings
#
# XXX this code is not saving the state of the 6
# per-rep user-defined clipping planes yet.
proc clone_reps {} {
  set srcmol [molinfo top]
  foreach mol [molinfo list] {
    if {$mol == $srcmol} continue
    #delete current representations
    set numreps [molinfo $mol get numreps]
    for {set i 0} {$i < $numreps} {incr i} {
      mol delrep 0 $mol
    }
  }
  for {set i 0} {$i < [molinfo $srcmol get numreps]} {incr i} {
    set rep [molinfo $srcmol get "{rep $i} {selection $i} {color $i}
{material $i}"]
    lappend rep [mol showperiodic $srcmol $i]
    lappend rep [mol numperiodic $srcmol $i]
    lappend rep [mol showrep $srcmol $i]
    lappend rep [mol selupdate $i $srcmol]
    lappend rep [mol colupdate $i $srcmol]
    lappend rep [mol scaleminmax $srcmol $i]
    lappend rep [mol smoothrep $srcmol $i]
    lappend rep [mol drawframes $srcmol $i]
    foreach mol [molinfo list] {
      if {$mol == $srcmol} continue
      foreach {r s c m pbc numpbc on selupd colupd colminmax smooth
framespec} $rep { break }
      eval "mol representation $r"
      eval "mol color $c"
      eval "mol selection {$s}"
      eval "mol material $m"
      eval "mol addrep $mol"
      if {[string length $pbc]} {
        eval "mol showperiodic $mol $i $pbc"
        eval "mol numperiodic $mol $i $numpbc"
      }
      eval "mol selupdate $i $mol $selupd"
      eval "mol colupdate $i $mol $colupd"
      eval "mol scaleminmax $mol $i $colminmax"
      eval "mol smoothrep $mol $i $smooth"
      eval "mol drawframes $mol $i {$framespec}"
      if { !$on } {
        eval "mol showrep $mol $i 0"
      }
    }
  }
}

On 22 March 2016 at 09:53, Seera Suryanarayana <palusoori_at_gmail.com> wrote:

> Dear VMD users,
>
> I have loaded the 10 pdbs on vmd and I wold like to represent the
> newcartoon for all pdbs by tcl script at one time instead of doing one by
> one. Kindly suggest me how do I do.
>
> thanks in advance
> Surya
> Graduate student
> India.
>