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

[hari jayaram]

Thanks a lot Nat  , I will manually edit the ncs.params file to add the
correct syntax for the ncs group

Also thanks for the tips on checking and editing the *.eff file before
running.
Once you have a patched nightly , I will switch to that build..

Thanks again
Hari



On Thu, Mar 25, 2010 at 1:01 PM, Nathaniel Echols <NEchols at 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 at lbl.gov
>
>
>
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