The road ahead for searching structures and pre processing the Protein databank. #8
Description
gen_csv.py was an attempt to apply concepts from relational databases to searching structural information protein structure. Placing information about a structure in a data frame turned out to be slow, and it does not give a lot more information than just a PDB. The data frame had energy paramaters included, but this information is of little use. We need to generate metadata on the protein databank as a first step. What would you want from a structure that you would want to search? single dihedral angles statistics, and the frequency and values of pair, triplets, and so on, of dihedral angles.