User:Karsten Theis/Rigid body interpolation

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This page shows a way to superpose two rigid bodies so that they both have the same rotation, and they are translated such that a common anchor (center of mass, given atom) is in the same location.

The entire coordinates are copies first so that you can play around with the parameters and then reset the coordinates. The starting point is a structure with two models containing the same atoms in the same order, but with different coordinates.

coordinates = {all}.xyz
{all}.xyz = coordinates
define selection1 1.1 and (912-984) and *:A
define selection2 1.2 and (912-984) and *:A
anchor1 = {1.1 and 984:A.CA}.xyz
anchor2 = {1.2 and 984:A.CA}.xyz
fourbyfour = compare({selection1}, {selection2})
total_quat = quaternion(@fourbyfour%1)
progress = 0.5
ssergorp = 1 - progress
quat1 = total_quat * progress
quat2 = total_quat * ssergorp * -1

select selection1
rotateselected @quat1 molecular
rotatedanchor1 = quat1 * anchor1
transl1 = -rotatedanchor1
translateselected @transl1

select selection2
rotateselected @quat2 molecular
rotatedanchor1 = quat2 * anchor2
transl2 = -rotatedanchor2
translateselected @transl2

spinqualitylabelsall models Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image