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
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 [email protected]
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb