Dear All,

I'm trying to rotate an object about an axis about that runs through it using the cmd.rotate command in Pymol 1.0, and am getting unexpected results.

Here's the command that I'm using;

cmd.rotate(axis=e1Axis, origin=eCenter, selection='cro_0001_2',angle=45.0)

I've attached two screen shots, one before the operation, and one after. (Before.jpg and After.jpg).

The center of electron density, eCenter is shown as a blue sphere in the images, while e1Axis runs from eCenter to the phenolic oxygen, shown as a sphere.

A big give away that the command is not working as I wish is that the phenolic oxygen does not lie on the e1Axis after the rotation, although the center of electron density, eCenter does remain in the same place.

Is this a bug in the rotate command, or a misuse of the rotate command?

Thanks! and all the best,

--Buz

<<inline: Before.jpg>>



<<inline: After.jpg>>

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