choderalab / ensembler-manuscripts

Manuscript for Ensembler v1
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Show number of structures available for each target #49

Open jchodera opened 8 years ago

jchodera commented 8 years ago

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 commented 8 years ago

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 commented 8 years ago

I think this is great!

sonyahanson commented 8 years ago

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 < kinasestructures.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 commented 8 years ago

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