Dear Jürgen:
Exactly! 1SS8, the tls-refined GroEL. I generated a PDB containing the
total anistropic B values by TLS, based on which I want to reproduce the R
factor by REFMAC as they used. Thanks for your advice, following is my
script. Unfortunately, it failed to reproduce the PDB R factor...
N
Take a look at this part of a script, I added your NCS operators in two options.
So you are working on GroEL ?
Good luck,
Jürgen
#!/bin/csh -f
set prevVer = 01
set prevRun = 00
set currVer = 02
set currRun = 04nolig
set currData = my_latest_structure
#
set xyzin = omitted_ligands.pdb
set xyz
Hi there:
The REFMAC manual give me a hard time to define the NCS during refinement.
Can anybody give a first time user a sample script based on the following
PDB header (NCS part only is ok, but please include how todefine tight
restrant only for both positional and B ref, for both NCS groups)? T
