- #1
estalniath
- 17
- 0
I had recently stumbled upon a computer program that can automatically add missing hydrogen atoms to protein structures from files from the protein data bank. (due to the hydrogen atom having only 1 electron, hence making its electron density too low to be detected by X-ray crystallography methods) I am curious on the physics used by the program to calculate and detect and add the hydrogen atom to those long chained molecules and would be more than delighted if someone could recommend me a book or web resources or even describe the theories here so that I can at least have a clear direction on which field/area to read up on to fully understand what is going on. :)