Hello,
I would like to move a protein so that its geometric center is positioned on the origin. I didn't really found any tcl command that would allow me to do the equivalent of "mouse>move>molecule" with a script. I tried to code something :
proc center_prot_origin {molid sel} {
set selprot [atomselect $molid $sel]
set center_prot [measure center $selprot]
$center_prot set {x y z} veczero
}
But I have this error "invalid command name "54.50181198120117 54.5606689453125 40.78789138793945""
So I guess I cannot "set" a position but only selected residues. And I think anyway that this code would not make all my protein move. I would be grateful if you could help me. Thank you.
Hello I solved my problem by using the following script :
proc center_prot_origin {molid sel} {
set selprot [atomselect $molid $sel]
set center_prot [measure center $selprot]
set transfo [transoffset [vecinvert $center_prot]]
puts $transfo
$selprot move $transfo
set new_center_prot [measure center $selprot]
puts $new_center_prot
}
First I measure the center of my protein ({x y z}) and then I use transoffset with the invert of this vector in order to translate all my protein ($selprot) by {-x -y -z}. At the end of the day when I measure again the center it is located at the origin.