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SHELX C/D/E: Difference between revisions
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[[hkl2map]] is a graphical user interface that makes it easy to use these programs. | [[hkl2map]] is a graphical user interface that makes it easy to use these programs. | ||
[[xds:xdsgui|XDSGUI]] is a graphical user interface for XDS that also makes it easy to use these programs. | |||
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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 === | |||
(communicated by Isabel Uson) Insert a line | |||
REMARK 299 NCS GROUP BEGIN | |||
before the ATOM (or HETATM) lines of 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 specification. | |||
== RIP with SHELXC/D/E == | == RIP with SHELXC/D/E == | ||