Collection of scripts written to help with my research
Program to calculate estimates and confidence intervals of portions (uses normal approximation, Clopper-Pearson, Aggresti-Coull, Wilson score with and without continouity correction)
Arguments: number_of_hits sample_size conf_int_percentage
the last argument is optional, 95 is assumed if missing
Example:
python3 confint.py 32 48 99
This means 32 positive cases in 48 data points, 99% conf. interval requested.
See the code (or a textbook) for comments on the various methods.
The script requires scipy to be installed in your python environment. (Type pip3 install scipy if not sure.)
Extracts the diffraction profile from a Rigaku {basename}.rasx file to {basename}.xy file. Only tries to extract a single (i.e. the first) profile.
Type python3 rasx2xy.py -h to see command line options.
Splits a mol2 file into separate files for each residue (requires perl5).
./splitmol2.pl name.mol2 will create name-1.mol2, name-2.mol2 ..., containing
residues 1, 2, ... of the original molecule, respectively. It is desinged to work with single-molecule mol2 files.