SSX-PepT Se: Difference between revisions

19 bytes removed ,  29 November 2017
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  xscale_isocluster -dim 3 -i all_145.hkl | tee XSCALE_ISOCLUSTER.LP
  xscale_isocluster -dim 3 -i all_145.hkl | tee XSCALE_ISOCLUSTER.LP


--> check output on screen (which is saved on XSCALE_ISOCLUSTER.LP)
--> check output on screen (which is saved on XSCALE_ISOCLUSTER.LP). The program says that we obtain 4 clusters. Check with coot:


Comment: we don't really see the clusters as separate when looking at iso.pdb in coot. So let us just take the 4 clusters that xscale_isocluster detects as an opportunity to use groups of data sets for further work, without implying any deeper meaning of the clusters.
coot iso.pdb


== we obtain 4 clusters ==
We don't really see the clusters as separate when looking at iso.pdb in coot. So let us just take the 4 clusters that xscale_isocluster detects as an opportunity to use groups of data sets for further work, without implying any deeper meaning of the clusters.
coot iso.pdb &
--> explain what we see...
--> show an INPUT_FILE


== look at the 4 clusters ==
== look at the 4 clusters ==


coot iso.1.pdb  
load iso.1.pdb into coot. Also load iso.2.pdb , iso.3.pdb, iso.4.pdb and use the Display Manager for switching the clusters on/off
also load iso.2.pdb , iso.3.pdb, iso.4.pdb and use the Display Manager for switching the clusters on/off


== decide which clusters one would take for structure solution ==
== decide which clusters one would take for structure solution ==
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