VMD-L Mailing List

From: Peter Mawanga (peter.mawanga.lagos_at_gmail.com)
Date: Wed Mar 14 2018 - 14:23:05 CDT

Dear VMD users

I am trying to apply a transformation matrix successively to a set of pdb
coordinates and save the coordinates after each transformation into a
single pdb file. I have been able to write the coordinates separately to
multiple files though. My code (attempt) is given below:

set sel [atomselect top all]
set matrix {<4 * 4 transformation matrix>}
set n {10}

for {set i 0} {$i < $n} {incr i} {
 animate write pdb $i.pdb
 $sel move $matrix
 $sel update
}

$sel delete

The "beg <first frame> end <last frame>" could not be applied in this case,
since only one frame is involved. Kindly let me know your suggestions. 

-- 
Cheers
Peter