[Chimera-users] Thermal ellipsoids are not updated when playing multi-frame PDB trajectory

Lukasz Walewski Lukasz.Walewski at ruhr-uni-bochum.de
Thu Mar 31 06:59:47 PDT 2011


I am looking at the trajectory with thermal anisotropy factors that
change from frame to frame, i.e. I have a multi-frame PDB file that
contains ATOM and ANISOU records. The components of the anisotropy
tensors change during the simulation (the data I am analyzing has a
redefined meaning). I am able to properly read and play the trajectory.
Ellipsoid representation of the thermal U factors works excellent for a
single frame. However it seems that the ellipsoids are not updated when
I play the trajectory, i.e. the atoms move as expected but the
ellipsoids retain both their positions and shape from the first frame.
Is there any way around ?

In any case I find Chimera wonderful software that I came upon only
recently. Thanks guys for developing it!

With best regards,

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