VMD-L Mailing List

From: amit_at_mbu.iisc.ernet.in
Date: Tue Oct 31 2006 - 13:50:23 CST

Dear Sir,
I would like to display two sets of residues while playing a trajectory. I
compute the selecting by residue no. and write them into two different
files.
Its working fine for one file(select.dat) using the script below.

******************************************************************* #
function to update the selection from the highlight array
proc do_highlight {args} {
    global highlight molid selid
    # get the current frame number
    set frame [molinfo $molid get frame]
    # if we have data for this frame, update the selection
    if {[info exists highlight($frame)]} then {
        mol modselect $selid $molid "$highlight($frame)"
    }
}

set molid [molinfo top]
set selid 2
set n [molinfo $molid get numframes]
set highlight(0) none
# read selections from file
set fp [open "select.dat" r]
for {set i 0} {$i < $n} {incr i} {
    set highlight($i) [gets $fp]
}
close $fp

# hook highlight function into animation
trace variable vmd_frame($molid) w do_highlight
animate goto start
**************************************************************************

How do I include both the files(select.dat & select1.dat) in the same
trajectory. Can anyone share with me how to modify this script.

Thanking in advance,

with regards
amit