[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

RE: [ccp4bb]: TLS refinement

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

 
> If the centre of masses come out as 0,0,0 then that certainly 
> means the program thinks there are no atoms in your TLS 
> group. Which in turn means there is something wrong with the 
> group definitions.
> 
> The line should read:
> 
> RANGE 'A  60.' 'A 360.' ALL
> 
> Residue number must be I4, and ALL should be upper case.
> 
> If you use the 'Create/Edit TLS File' task in the Refinement 
> module of the GUI, then it will do this for you.

Nope, if you enter lowercase in the GUI you get lower case in the output!

-- Bjorn Kauppi