[gmx-users] princ and rotate
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).
> Get a bigger mailbox -- choose a size that fits your needs.
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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