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SHELX C/D/E: Difference between revisions
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→How to find out if a molecular replacement solution is correct or wrong
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for a solved structure (25 to 50%). The solution with the best CC is | for a solved structure (25 to 50%). The solution with the best CC is | ||
written to name.pdb and its phases to name.phs for input to e.g. Coot. | written to name.pdb and its phases to name.phs for input to e.g. Coot. | ||
== How to tell SHELXE about NCS in a molecular replacement solution PDB file == | |||
Insert a line | |||
REMARK 299 NCS GROUP BEGIN | |||
before each NCS group (e.g. chain), and insert the line | |||
REMARK 299 NCS GROUP END | |||
after the last of these. The -n option is not needed then. The output of SHELXE should tell you about the fact that it understood the NCS hints. | |||
== RIP with SHELXC/D/E == | == RIP with SHELXC/D/E == | ||