kinalysis
python inputs.py
python make_summary_pdf.py
--or--
python inputs.py
python make_summary_pdf.py --project 11401
If your trajectories are in trajectories/*.h5
, you're golden, but if you want you can change the default path in line 52 of make_summary_pdf.py
.
If you're analyzing another protein besides Src kinas and not using the --project
flag, change
protein = 'SRC'
(line 51 of make_summary_pdf.py
) to your protein of choice, and make sure
all the appropriate inputs are in inputs.py
.
If you want to analyze a whole project in the choderalab munged3 FAH projects folders, you can just use the --project
flag as above using the project name, and make sure the appropriate inputs are in inputs.py
.
Results, including png's, npy's, and the final pdf summary will show up in the results
folder sorted by the protein name by default or the project number if you used the --project
flag.