get_PDB_len is unnecessary and expensive. Should instead Read everything in read_PDB as vector and convert it to array later. Currently, I/O is unnecessarily heavy: once for checking file existence, once for estimating chain length, once for reading the CA atoms.
kad-ecoli
commented
6 years ago
get_PDB_len is unnecessary and expensive. Should instead Read everything in read_PDB as vector and convert it to array later. Currently, I/O is unnecessarily heavy: once for checking file existence, once for estimating chain length, once for reading the CA atoms.