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PDB
PDBswmb
fishplots
README.md
drawing_practice.py
k_sq_db.csv
kappaSquared.py

README.md

kappa-squared

This python script computes the orientation factor or ''kappa squared'' (k^2) between 2 dipoles in Forster Resonance Energy Transfer (FRET). A PDB file is read and the user inputs the number of tryptopahn that the orientation factor between the tryptophan and the heme. The orientation factor is calculated with 2 different methods, for both the normal and disordered orientations of hemes. It is also capable of creating "fish plots" for trp-heme pairs. For further information, read: "Intrinsic fluorescence of hemoglobins and myoglobins." Gryczynski, Z.; Lubkowski, J.; Bucci, E. Methods Enzymol. 1997, 278, 538–569. Specifically, start reading at page 548. DOI: 10.1016/S0076-6879(97)78030-3

See kappa-squared wiki on GitHub for notes of how to use the script, the current development of the script as well as the future plans for the script.