Dear all,
after re-indexing a dataset I had to re-orient my coordinates accordingly. The
model contains some 24 TLS-tensors.
Now my question is how to apply the rotation matrix also to the TLS-tensors.
What is the mathematical operation and is there a program that can do the job
for me?
Thanks,
Hi Clemens
It's complicated. If you unpack this bzip2/tar file it contains
's50.html' and some gifs showing the relevant equations.
Good luck!
-- Ian
-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On Behalf Of Clemens Grimm
Sent: 09 July 2008 10:45
To:
I would run the TLS again!
Eleanor
Clemens Grimm wrote:
Dear all,
after re-indexing a dataset I had to re-orient my coordinates accordingly. The
model contains some 24 TLS-tensors.
Now my question is how to apply the rotation matrix also to the TLS-tensors.
What is the mathematical
this was a difficult case due to poor convergence behaviour during the TLS
refinement. At the moment I'm not sure what would be more complicated,
re-creating the tensors from scratch or writing a script.
What about TLSANL? Is there an (undocumented ?) feature that could be used for
things like
]; Eleanor Dodson
Cc: CCP4BB@jiscmail.ac.uk
Subject: Re: [ccp4bb] re-indexing, re-orienting and TLS-tensors
this was a difficult case due to poor convergence behaviour
during the TLS
refinement. At the moment I'm not sure what would be more complicated,
re-creating the tensors from scratch
is applied separately to L and S.
Cheers
-- Ian
-Original Message-
From: Clemens Grimm
[mailto:[EMAIL PROTECTED]
Sent: 09 July 2008 14:20
To: Ian Tickle
Subject: RE: [ccp4bb] re-indexing, re-orienting and TLS-tensors
Hi Ian,
thanks for the formulas! I'll probably give Mthematica
