VMD-L Mailing List

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Tue Mar 22 2016 - 06:04:25 CDT

Ahh, much better and it even saves the per-representation clipping planes.
Don't know how I missed it.

Best,
Ajasja

On 22 March 2016 at 11:47, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> 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.
>