Re: [ccp4bb] re-indexing, re-orienting and TLS-tensors

2008-07-09 Thread Ian Tickle
on 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 f

Re: [ccp4bb] re-indexing, re-orienting and TLS-tensors

2008-07-09 Thread Ian Tickle
2:24 > To: [EMAIL PROTECTED]; 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 woul

Re: [ccp4bb] re-indexing, re-orienting and TLS-tensors

2008-07-09 Thread Clemens Grimm
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 tha

Re: [ccp4bb] re-indexing, re-orienting and TLS-tensors

2008-07-09 Thread Eleanor Dodson
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 operation

Re: [ccp4bb] re-indexing, re-orienting and TLS-tensors

2008-07-09 Thread Ian Tickle
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:

[ccp4bb] re-indexing, re-orienting and TLS-tensors

2008-07-09 Thread Clemens Grimm
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, C