[Chimera-users] Morph conformation - conformation collapsing
Helge.Paternoga at bzh.uni-heidelberg.de
Helge.Paternoga at bzh.uni-heidelberg.de
Tue Mar 18 03:06:26 PDT 2014
Hello,
I'm trying to morph two structures which have two chains each. The
problem is that if I just add the two confirmations one chain will turn
the wrong way, because it is taking the shortest distance to the final
position.
What i did now is I used this initial morphing to extract 4 frames of
the movement of the other chain and inserted the movement of the smaller
chain in each of these structures by hand (so the movement is in the
right direction and happening at the same time as the other chain).
But when I now add these 4 structures in my morph confirmation list like
this:
Start confirmation
frame 1
frame 2
frame 3
frame 4
End confirmation
It nicely starts moving in the right way but then at a transition to a
new frame the whole structre collapses, bonds get distorted, it somehow
shrinks and then extends again later to end up at the final
confirmation...
I think this is independent of which frame i use (I tried to simplify it
by using only 2 intermediates)
Do you have any idea what is causing this collapse? The initial
confirmation has the same number of chains as the end confirmation (with
the same names) but they have a different number of atoms (which i don't
quite understand because they are the same macromolecules...) Could this
be part of the problem?
best regards,
Helge
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