VMD-L Mailing List

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Thu May 20 2004 - 15:38:37 CDT

Hi all,

On Wed, 19 May 2004, Elif Ozkirimli wrote:

> I was wondering if there was a way to copy the representations I create
> for one molecule to the others.

Here's a script I wrote a couple of weeks ago to do exactly this, based on
the current save-state code in VMD. Source this file and then use the
clone_reps command to make all molecules the same representations as the
current "top" molecule.

-Jim

#
# 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"
      }
    }
  }
}