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2QVO.xds: Difference between revisions
→SHELXC/D/E structure solution
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==SHELXC/D/E structure solution== | ==SHELXC/D/E structure solution== | ||
This is done in a subdirectory of the XDS data reduction directory (either dataset "1" or "2", and we can also try it in a xscale subdirectory). Here, we generate XDSCONV.INP (I used MERGE=TRUE, sometimes the results are better that way) | This is done in a subdirectory of the XDS data reduction directory (either dataset "1" or "2", and we can also try it in a xscale subdirectory). Here, we use a script to generate XDSCONV.INP (I used MERGE=TRUE, sometimes the results are better that way), run [[XDSCONV|xdsconv]] and [[ccp4com:SHELX_C/D/E|SHELXC]]. | ||
<pre> | <pre> | ||
#!/bin/csh -f | #!/bin/csh -f | ||
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shelxe.beta j j_fa -a -q -h -s0.55 -m20 -b | shelxe.beta j j_fa -a -q -h -s0.55 -m20 -b | ||
and | and the inverse hand: | ||
shelxe.beta j j_fa -a -q -h -s0.55 -m20 -b -i | shelxe.beta j j_fa -a -q -h -s0.55 -m20 -b -i | ||