SHELX C/D/E: Difference between revisions

351 bytes added ,  30 January 2020
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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 ==
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