On Thu, Mar 25, 2010 at 1:01 PM, Nathaniel Echols
<NEchols@lbl.gov> wrote:
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 {
[snip]
}
}
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.
-Nat
-------------------
Nathaniel Echols
Lawrence Berkeley Lab
510-486-5136
NEchols@lbl.gov
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