Hi Partha, You can turn off the ncs with "find_ncs=False" in either GUI or command-line. It is harder to only work on part of the molecule. If you can use "rebuild_in_place" (not adding/deleting residues) then you can specify a range of residues/chains to rebuild. However if you are adding/deleting with rebuild_in_place=False, you are stuck. One solution is rebuild all of it, and then recombine with the good (fixed) molecule using phenix.combine_models which should keep (most of ) your good chain. All the best, Tom T On Sat, Dec 15, 2018 at 4:55 PM Parthasarathy Sampathkumar < [email protected]> wrote:
Dear All,
These days my research often involves structure determination of the Antigen:Fab complexes, wherein the antigen structure is already known. Given this: (1). I would like to run AutoBuild in such a way that the program does not to touch antigen model, but only Re-builds only the Fab molecule; and (2). in some cases, due to structural-symmetry within the variable and constant domains of heavy- and light- chains, AutoBuild is searching and applying NCS operator while it is not present, and would like to avoid the same. How could these be done either in GUI or in command-line?!!
Many Thanks in advance, Best Wishes Partha PS: Of course, when the data is at "high-enough resolution", I build Fab model manually after MR and Refinement. But, in the above case, resolution is only 3-ish angstrom. _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
-- Thomas C Terwilliger Laboratory Fellow, Los Alamos National Laboratory Senior Scientist, New Mexico Consortium 100 Entrada Dr, Los Alamos, NM 87544 Email: [email protected] Tel: 505-431-0033