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From: vivek sharma (vivek.sharma_at_helsinki.fi)
Date: Fri Oct 08 2004 - 09:01:52 CDT
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Sir,
please let me know why this loop does not work? I am trying to superpose
various structures on each other and calculate rmsd before and after
superposition, although it runs and prints the 'puts' text but doesnot print
the rmsd values and transformation matrix in console.
----------
#loop shown here, this is a part of program, before this code pdbs are #loaded.
for {set y 0} {$y<4} {incr y} {
for {set x [expr {$y+1}]} {$x<4} {incr x} {
set tempall1 [atomselect $y "all"]
set tempall2 [atomselect $x "all"]
set tmat [measure fit $tempall2 $tempall1]
measure rmsd $tempall2 $tempall1
$tempall2 move $tmat
puts "$y with $x"
measure rmsd $tempall2 $tempall1
}}
I think there is some silly mistake, I am doing? Please clarify.
Thanking you,
sincerely,
-- VIVEK SHARMA HBG BI
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