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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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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 == | === How to tell SHELXE about NCS in a molecular replacement solution PDB file === | ||
Insert a line | (communicated by Isabel Uson) Insert a line | ||
REMARK 299 NCS GROUP BEGIN | REMARK 299 NCS GROUP BEGIN | ||
before each NCS group (e.g. chain), and insert the line | before the ATOM (or HETATM) lines of each NCS group (e.g. chain), and insert the line | ||
REMARK 299 NCS GROUP END | 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 | 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 == | ||