[phenixbb] tls refinement

sbiswas2 at ncsu.edu sbiswas2 at ncsu.edu
Mon May 11 11:53:23 PDT 2009

Hi all,

I started doing TLS refinement with one of my structures and got the
Start R-work = 0.3817, R-free = 0.3923 (no bulk solvent and anisotropic
Final R-work = 0.3788, R-free = 0.3885 (no bulk solvent and anisotropic

Start R-work = 0.2094, R-free = 0.2381
Final R-work = 0.2058, R-free = 0.2358

my question now is why is the R value high without the anisotropic scale?
Second question is:
can I refine alternate conformations using the command line or is it
already there in the default parameters?
NC State University

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