I am having great difficulty loading shelx files as trajectories. Loading
them as multiple (independent) models works fine, but I would like to
switch to trajectory modes to save on memory usage and to preserve bond
measurements or custom coloring as the movie is played.
Do trajectories work with res files? Is there a flag I should add to the
file to assist jmol in identifying? The unit cell, the number of atoms, and
their sequence do not change between frames. Currently I just get:
"File cannot be loaded as a trajectory"
when I run:
load TRAJECTORY /path/to/file.res
The current *.res files look like:
TITL /tmp/tmp.AlZWr0sjGp/CONTCAR_
CELL 0.0000 33.0000 33.0000 18.0000 90.0000 90.0000 90.0000
LATT -1
SFAC Ru C O H
Ru 1 0.54162 0.69939 0.07147 1.00000 0.00000
Ru 1 0.45850 0.69952 0.07156 1.00000 0.00000
Ru 1 0.70575 0.70040 0.07169 1.00000 0.00000
... (~450 atoms)
...
END
TITL /tmp/tmp.AlZWr0sjGp/CONTCAR_
CELL 0.0000 33.0000 33.0000 18.0000 90.0000 90.0000 90.0000
LATT -1
SFAC Ru C O H
Ru 1 0.54162 0.69939 0.07147 1.00000 0.00000
Ru 1 0.45850 0.69952 0.07156 1.00000 0.00000
Ru 1 0.70575 0.70040 0.07169 1.00000 0.00000
... (~450 atoms)
...
END
Thanks,
David Hibbitts
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