Oh dear - TLS transformations are a bag of worms!
I usually start all over again if I want TLS ..
SET all Bs to B_wilson
Run 10 cycles of TLS with the groups listed in the PDB header.
That is boring but comparatively safe!
Eleanor
On 6 August 2017 at 15:36, Stefano Trapani wrote:
> Dear a
Dear all
I have found some issues in REFMAC5 output files (I am using version
5.8.0158)
1) when I use the "pdbout shifts" instruction, the "TLS ORIGIN" values
in the TLSOUT file and the "REMARK 3" PDB records do not take into
account the applied origin shift
2) when I :
- do zero refinemen
