GromacsXtcFile class
Gromacs binary .xtc input file
Contents
- Reference
Methods
- def advance(self, shift: int) -> None
- Shift internal pointer by shift
- def n_atoms(self, /) -> int
- Number of atoms per frame
- def n_frames(self, /) -> int
- Number of frames
- def read_frame(self, index: int, frame: Frame) -> None
- Assign index frame coordinates, cell, etc
Special methods
- def __init__(self, filename: str, n_frames: int) -> None