VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Mar 22 2016 - 05:47:43 CDT

FYI: http://www.ks.uiuc.edu/Research/vmd/plugins/clonerep/

axel.

On Tue, Mar 22, 2016 at 6:26 AM, Ajasja Ljubetič <ajasja.ljubetic_at_gmail.com>
wrote:

> 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.
>>
>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.