center particle at the center of mass of its CHILDREN particles.
?
On Jan 26, 2009, at 7:46 AM, Ben Webb wrote:
Keren Lasker wrote:
Lets say I have two proteins A and B and I want to calculate a
distance
restraint between them.
Usually it would be preferable to calculate the distance restraint
between their centroids.
However, their centroids are derived from the positions of their
atoms.
So - even if I calculate the centroids of the protein particle and
add
XYZ attributes, the calculating of the distance restraint will be
true
for the first time - but the state of the XYZ attributes of the
protein
particles should be updated according to the atom positions.
One option is to use a GravityCenterScoreState to keep each gravity
center particle at the center of mass of its parent particles.
Ben
--
http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle
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