Struct structure_open_options

• Defined in File model.hpp

Struct Documentation

struct structure_open_options

Public Members

bool skip_hydrogen = false

Do not include hydrogen atoms in the structure object.

bool skip_hetatom = false

Do not include HET atoms in the structure object.

bool skip_water = false

Do not include water atoms in the structure object.

occupancy_policy occupancy_mode = occupancy_policy::ALL

By default, the occupancy policy is set to occupancy_policy::ALL.

std::vector<std::string> asyms

The asyms to load, if empty load all.

std::optional<float> min_b_factor

Only load atoms with at least this b_factor.

std::optional<float> max_b_factor

Only load atoms with at most this b_factor.