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choderalab
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kinalysis
Scripts for analyzing simulations of kinases!
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Adding Src Abl reference PDBs with plots
#22
sonyahanson
opened
7 years ago
1
added script for plotting MSM states
#21
sonyahanson
closed
8 years ago
0
Not full analysis yet in shukla by runs
#20
sonyahanson
opened
8 years ago
0
added 10471/2 inputs [2]
#19
sonyahanson
closed
8 years ago
0
adding mtor info to inputs file
#18
steven-albanese
closed
8 years ago
2
added 10471/2 inputs
#17
sonyahanson
closed
8 years ago
0
Jumps in RMSD
#16
juliebehr
opened
8 years ago
3
Automatically define DFG dihedral from knowing that F/W from DF/WG starts the A loop
#15
sonyahanson
opened
8 years ago
2
Look into better way of continuously keeping summary files updated
#14
sonyahanson
opened
8 years ago
0
Add ability to compare RMSD to representative active/inactive structures
#13
sonyahanson
opened
8 years ago
0
Add assessment of runs and clones and whether any are missing
#12
sonyahanson
opened
8 years ago
0
Describe criteria for reference_pdbs
#11
sonyahanson
opened
8 years ago
0
Automatically define dihedrals, resnums, etc. from alignments
#10
sonyahanson
opened
8 years ago
0
Adding options to do analysis by FAH project and by run.
#9
sonyahanson
closed
8 years ago
3
Add ability to make figures from Mobitz 2015
#8
sonyahanson
opened
8 years ago
0
Make examples for making individual figures.
#7
sonyahanson
opened
8 years ago
0
Get Steve and Julie to add things.
#6
sonyahanson
opened
8 years ago
0
Change us to $/mu$s in pdf.
#5
sonyahanson
opened
8 years ago
0
added CK2 SYK stuff
#4
sonyahanson
closed
8 years ago
1
Making a few updates - now can use any number of h5 as input
#3
sonyahanson
closed
8 years ago
1
Getting an initial version of kinalysis to work
#2
sonyahanson
closed
8 years ago
0
Editing Shukla plot
#1
steven-albanese
closed
8 years ago
1