(http://www.ks.uiuc.edu/Research/namd/tutorial/NCSA2002/hands-on/)
mol delete all
mol load psf pope.psf pdb pope_move.pdb
global popemol
set popemol [molinfo top]
mol load psf protein.psf pdb protein.pdb
display projection orthographic
mol modselect 0 $popemol "name P"
mol modstyle 0 $popemol VDW
puts {
1. Switch to Move Molecule mode by moving the mouse into the graphics
window and pressing the 8 key. The cursor should now have the form
of a cross-hair.
2. While holding down the shift key, click on one of the protein atoms
and drag the mouse. You should see just the protein rotating
around the atom you picked. Try to align the axis of the protein
with an imaginary line coming out of the screen, so that it's
perpendicular to the membrane. If you accidentally rotate the
whole scene instead of just the protein, type "display resetview"
in the text console to get back to the original view.
3. Type "rotate x by -90" in the text console. Now you want to center
the protein between the phosphate atoms of the bilayer. This time,
click and hold on one of the protein atoms _without_ holding down
shift. Move the protein up and down until it's centered.
4. Switch back to the orginal view with "display resetview". If the
protein looks good, you can go on to the next step; otherwise repeat
steps 2 and 3 above.
}
Wednesday, October 22, 2008
Align molecule
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