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XSCALE ISOCLUSTER: Difference between revisions
→Usage
(→Usage: example) |
(→Usage) |
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A useful set of options for resolving an indexing ambiguity is shown in the following example: | A useful set of options for resolving an indexing ambiguity is shown in the following example: | ||
xscale_isocluster -i -dim 2 -clu 2 -dmin 20 -dmax 2.5 XSCALE.HKL | xscale_isocluster -i -dim 2 -clu 2 -dmin 20 -dmax 2.5 XSCALE.HKL | ||
coot iso.1.pdb iso.2.pdb | |||
In coot, use Draw->Cell-&-Symmetry->Show Unit Cells->Yes and use the Display Manager to switch the pseudo-PDB files on/off. | |||
Specifying dmin and dmax is often needed because a) the high resolution is often weak and noisy, and should be excluded, and b) the default of the program is to choose the resolution range that is covered by all datasets, which may be quite narrow. | Specifying dmin and dmax is often needed because a) the high resolution is often weak and noisy, and should be excluded, and b) the default of the program is to choose the resolution range that is covered by all datasets, which may be quite narrow. | ||