Hi there: The REFMAC manual give me a hard time to define the NCS during refinement. Can anybody give a first time user a sample script based on the following PDB header (NCS part only is ok, but please include how todefine tight restrant only for both positional and B ref, for both NCS groups)? Thanks a lot!
Best Regards, Hailiang REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : 2 REMARK 3 REMARK 3 NCS GROUP NUMBER : 1 REMARK 3 CHAIN NAMES : A B C D E F G REMARK 3 NUMBER OF COMPONENTS NCS GROUP : 2 REMARK 3 COMPONENT C SSSEQI TO C SSSEQI CODE REMARK 3 1 A 2 A 135 1 REMARK 3 1 B 2 B 135 1 REMARK 3 GROUP CHAIN COUNT RMS WEIGHT REMARK 3 TIGHT POSITIONAL 1 A (A): 1806 ; 0.092 ; 0.050 REMARK 3 TIGHT POSITIONAL 1 B (A): 1806 ; 0.131 ; 0.050 REMARK 3 TIGHT THERMAL 1 A (A**2): 1806 ; 0.192 ; 0.500 REMARK 3 TIGHT THERMAL 1 B (A**2): 1806 ; 0.228 ; 0.500 REMARK 3 REMARK 3 NCS GROUP NUMBER : 2 REMARK 3 CHAIN NAMES : A B C D E F G REMARK 3 NUMBER OF COMPONENTS NCS GROUP : 2 REMARK 3 COMPONENT C SSSEQI TO C SSSEQI CODE REMARK 3 1 A 136 A 190 1 REMARK 3 1 B 136 B 190 1 REMARK 3 GROUP CHAIN COUNT RMS WEIGHT REMARK 3 TIGHT POSITIONAL 1 A (A): 1806 ; 0.092 ; 0.050 REMARK 3 TIGHT POSITIONAL 1 B (A): 1806 ; 0.131 ; 0.050 REMARK 3 TIGHT THERMAL 1 A (A**2): 1806 ; 0.192 ; 0.500 REMARK 3 TIGHT THERMAL 1 B (A**2): 1806 ; 0.228 ; 0.500
