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Show number of structures available for each target #49

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jchodera opened this issue Aug 23, 2015 · 4 comments
Open

Show number of structures available for each target #49

jchodera opened this issue Aug 23, 2015 · 4 comments

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@jchodera
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This could be, for example, a histogram showing for each TK target the number of structures of that kinase in the PDB, sorted in descending order.

@danielparton
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How is this?
The x labels may be too small. I could leave off the TK targets with no structures?
Note: the integer after the target name denotes the kinase domain index.

https://github.com/choderalab/ensembler-manuscripts/blob/6cea9632e4e38cbfaced500c3404f6ae7249e3ee/figures/nstructures_per_tk_target/nstructures_per_tk_target.pdf

@jchodera
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jchodera commented Sep 29, 2015 via email

@sonyahanson
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Do think the x labels are a bit small. I did a similar thing, but for all kinases, for my MolKin poster using some simple bash commands.

ls /cbio/jclab/projects/parton/kinome-ensembler/templates/structures-resolved/ > kinase_structures.txt
wc -l kinase_structures.txt
... 4434 kinase_structures.txt
< kinase_structures.txt cut -d'_' -f1 | uniq -c | sort -n -r > kinase_structures_count_sorted.txt

And then made a kinase tree out of it:

kinasepdbs

Just FYI, not necessary that we use it or anything, but thought I would mention it for posterity.

@jchodera
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This figure is awesome, @sonyahanson! I wonder if we should combine it with @danielparton's for the Ensembler paper.

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