Hi, I'm having a bit of ccp4i input- vs refmac logfile disconnect:
For my NCS definitions in refmac (5.5.0036), via ccp4i (v6.0.2):
Input
====
* I select "Tight main chain and medium side chain" from the dropdown.
* I reset the "NCS Bfactor" weights to 10 for both "tight", and "medium"
ncs restraints (I have significant disorder variation).
Output
=====
* Refmac prints out, when it lists the NCS
"Weights for this ncs: on positional - 0.050 and on thermal - 0.500"
* Refmac also prints out:
------------------------------------------------------
Old ncs restraints weighting scheme
.
Weight= 1.00
Positional, tight class 0.05A
Positional, medium class 0.50A
Positional, weak class 5.00A
Thermal, tight class 10.00A**2
Thermal, medium class 10.00A**2
Thermal, weak class 10.00A**2
------------------------------------------------------
Disconnect
========
So have I, or have I not, successfully adjusted the NCS thermal weights?
Thanks for any help
phx.
