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]