Hi Sabine,

just in case you don't want to go by the rotation matrix but instead specify rotation angles explicitly, here is another solution (non-PDBSET, sorry):

phenix.pdbtools model.pdb rotate="10 20 30" translate="1 2 3"

Repeating this line 100 times or running it in a script in whatever language you prefere would do what you want.


On Fri, Feb 18, 2011 at 6:54 AM, Sabine Schneider <[log in to unmask]> wrote:

I want to apply to a small structure a rotation and translation (i.e 10A translation and 10dg rotation), write out the coordinates and apply the same rotation/translation to the new coordinates and repeat this lets say 100 times.

I guess the program of choice would be pdbset but I am not sure how to script it to do the repetition?

Thanks a lot for your help!