[gmx-users] princ and rotate

David spoel at xray.bmc.uu.se
Tue Aug 20 21:24:30 CEST 2002

On Tue, 2002-08-20 at 14:38, Chris Shaw wrote:
> Hi all , 
> I am trying in vain to use rotate and princ to align my helices along the x, y, z axes. I am also doing a similar operation with a lipid bilayer so that the bundle of helices is in the right orientation with respect to the bilayer. Could anyone who has used these please help and if poss point me in the right direction with regards to command line options. 
If you have an isolated helix with a clear long axis ti should work. If
you have a bundle of helices which is more or less spherical, it will be
problematic. You can however use only one of the helices for orienting
(using an index file).

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Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
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