2,652
edits
XSCALE ISOCLUSTER: Difference between revisions
→Usage
(update help text) |
(→Usage) |
||
| Line 29: | Line 29: | ||
After segmentation of data sets in n-dimensional space, the program may be used (by specifying the -clu <m> option; default m=1) to try and identify <m> clusters of datasets. The program writes files called XSCALE.1.INP with lines required for scaling the datasets of cluster 1, and similarly XSCALE.2.INP for cluster 2, and so on. Typically, one may want to create directories cluster1 cluster2 ..., and then establish symlinks (called XSCALE.INP) in these to the XSCALE.#.INP files. This enables separate scaling of each cluster. | After segmentation of data sets in n-dimensional space, the program may be used (by specifying the -clu <m> option; default m=1) to try and identify <m> clusters of datasets. The program writes files called XSCALE.1.INP with lines required for scaling the datasets of cluster 1, and similarly XSCALE.2.INP for cluster 2, and so on. Typically, one may want to create directories cluster1 cluster2 ..., and then establish symlinks (called XSCALE.INP) in these to the XSCALE.#.INP files. This enables separate scaling of each cluster. | ||
Furthermore, a file iso.pdb is produced that may be loaded into coot. Then use Show/Cell and Symmetry/Show unit cell, and visualize the relations between datasets. With the - | Furthermore, a file iso.pdb is produced that may be loaded into coot. Then use Show/Cell and Symmetry/Show unit cell, and visualize the relations between datasets. With the -i option, individual iso.x.pdb files can be written for each cluster. For an example, see [[SSX]]. | ||
== Output == | == Output == | ||