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Any rotation / translation commands? [feature request] [question] #169

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UnixJunkie opened this issue Jan 17, 2025 · 2 comments
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@UnixJunkie
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Hello,

Is there a tool/command to translate the coordinates of a whole pdb?
E.g. by providing a 3D vector.

Same question for rotation?
E.g. by providing a 3D vector (the rotation axis), followed by an angle in radians.

Thanks!

@amjjbonvin
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amjjbonvin commented Jan 18, 2025 via email

@JoaoRodrigues
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JoaoRodrigues commented Jan 19, 2025

We don't have anything like that but we could add it since they'd be quite simple transformations. I can think of:

pdb_rotate.py 10,10,10,90   # rotate 90d around vector [10, 10, 10]
pdb_rotate.py x,90  # short-hand for rotate around x by 90d
pdb_translate.py 10,0,0  # translate 10A along X.

Would these work?

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