Hi Clemens The relevant matrix algebra is all there in TLSANL, i.e. you could put some code together based on that to do what you want, however there isn't an option (even an undocumented one!) to do exactly what you want and I don't know of any program which will do that. The math isn't actually all that difficult, all you need is a routine for 3x3 matrix multiplication, or you could use something like R or Mathematica.
-- Ian > -----Original Message----- > From: [EMAIL PROTECTED] > [mailto:[EMAIL PROTECTED] On Behalf Of Clemens Grimm > Sent: 09 July 2008 12:24 > 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 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 that? > > Clemens > > Quoting Eleanor Dodson <[EMAIL PROTECTED]>: > > > 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 and is there a program that can > >> do the job > >> for me? > >> > >> Thanks, > >> Clemens > >> > >> > >> > > > > > > Disclaimer This communication is confidential and may contain privileged information intended solely for the named addressee(s). It may not be used or disclosed except for the purpose for which it has been sent. If you are not the intended recipient you must not review, use, disclose, copy, distribute or take any action in reliance upon it. If you have received this communication in error, please notify Astex Therapeutics Ltd by emailing [EMAIL PROTECTED] and destroy all copies of the message and any attached documents. Astex Therapeutics Ltd monitors, controls and protects all its messaging traffic in compliance with its corporate email policy. The Company accepts no liability or responsibility for any onward transmission or use of emails and attachments having left the Astex Therapeutics domain. Unless expressly stated, opinions in this message are those of the individual sender and not of Astex Therapeutics Ltd. The recipient should check this email and any attachments for the presence of computer viruses. Astex Therapeutics Ltd accepts no liability for damage caused by any virus transmitted by this email. E-mail is susceptible to data corruption, interception, unauthorized amendment, and tampering, Astex Therapeutics Ltd only send and receive e-mails on the basis that the Company is not liable for any such alteration or any consequences thereof. Astex Therapeutics Ltd., Registered in England at 436 Cambridge Science Park, Cambridge CB4 0QA under number 3751674
