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XSCALE ISOCLUSTER: Difference between revisions
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The help output (obtained by using the <code>-h</code> option) is | The help output (obtained by using the <code>-h</code> option) is | ||
<pre> | <pre> | ||
Academic use only; no redistribution. Expires 2019-07-31 | |||
Academic use only; no redistribution. Expires | usage: xscale_isocluster -dmin <lowres> -dmax <highres> -nbin <nbin> -mode <1 or 2> -dim <dim> -clu <#> -cen <#,#,#,...> -<aAisw> XSCALE_FILE_NAME | ||
usage: xscale_isocluster -dmin <lowres> -dmax <highres> -nbin <nbin> -mode <1 or 2> -dim <dim> -clu <#> -cen <#,#,#,...> -< | dmax, dmin and nbin (default 1) have the usual meanings. The default | ||
dmax, dmin | of dmax, dmin is the common resolution range of all datasets in XSCALE_FILE. | ||
mode can be 1 (equal volumes of resolution shells) or 2 (increasing volumes; default). | mode can be 1 (equal volumes of resolution shells) or 2 (increasing volumes; default). | ||
dim is number of dimensions (default 3). | dim is number of dimensions (default 3). | ||
clu (by default | clu (by default 1) is number of clusters. | ||
cen (by default automatically) is a set of cluster centers (up to 9) specified by their ISET. | cen (by default automatically) is a set of cluster centers (up to 9) specified by their ISET. | ||
cen must be specified after clu, and the number of values given must match clu. | cen must be specified after clu, and the number of values given must match clu. | ||
-a: use anomalous (instead of isomorphous) signal only (unsuitable for partial datasets) | |||
-A: account for anomalous signal by separating I+ and I- (suitable for partial datasets) | |||
-i: write individual pseudo-PDB files to visualize clusters | |||
-s: scale (default 1) for WEIGHT=1/cos(scale*angle) values written to XSCALE.*.INP file(s) | |||
-w: no weighting of intensities with their sigmas | |||
The XSCALE.?.INP output files have angles [deg] w.r.t. cluster centers | |||
</pre> | </pre> | ||