[phenixbb] project defaults ncs.params not read or overridden/overwritten by GUI?

Nathaniel Echols NEchols at lbl.gov
Thu Mar 25 10:01:16 PDT 2010

On Mar 25, 2010, at 3:58 AM, hari jayaram wrote:
> Hi I am quite sure I am doing something wrong , but the refinement seems to always re-determine the NCS definitions despite it being set in the ncs.params file in the project defaults directory.
> Any idea why I cannot get the gui run refinement to remember my ncs definitions.

Aha - the problem is that the parameters I'm getting from the NCS group editor are incomplete.  The file it writes out will look like this:

restraint_group {
	reference = "chain A and resseq 1:100"
	selection = "chain B and resseq 1:100"
	coordinate_sigma = 0.05
	b_factor_weight = 10

It needs the fully qualified "path" of the restraint_group section, however.  Edit ncs.params to look like this:

refinement.ncs {
restraint_group {

That should fix the problem (and I'll see if we can get a patched installer built ASAP).  Sorry, I think I broke this last month attempting to repair something else.


Nathaniel Echols
Lawrence Berkeley Lab
NEchols at lbl.gov

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