alloc_data | Allocated data for refinement pointers |
brestraint_struct | Restraint data for B factors (J. Appl. Cryst. (1996) 29, 100-104) |
category_lib | Stuff to actually read in from each component, link, mod |
cif_atom_struct | Atom data used in CIF_ATOM dataypes in cif_dict_struct |
cif_dict_struct | Hash data for the dict_ entries in options_struct |
cif_restraint_struct | Restraint data for the second column/data relation in cif_dict_struct |
component_lib | Components to read in from the master dictionary |
constraint_struct | Stores constraint callback functions/targets |
file_struct | Stores file data/information |
find_data | Used for coord_find_restraint |
fit_func | Passed parameters during fitting |
group_lib | List of all the possible group types |
hkl_struct | Data for sets of HKLs |
hydrogen_struct | Information to idealize hydrogens between refinement cycles |
link_lib | Link information to read in from the master dictionary |
lj_potential_struct | Lennard-Jones parameters for calculating potential energy |
mod_lib | Mod information to read in from the master dictionary |
model_func | Data passed between the refinement functions |
model_restraint_struct | Hash data in model_struct - list of restraints applied for refinement |
model_struct | Top level model structure data array |
monomer_lib | Monomer libraries to read in by default |
options_struct | Redchi program options |
refine_struct | Refinement selection information |
rem_data | Data to be removed |
restraint_struct | Used to store relation data for model_restraint_struct |
shift_struct | Atom shift structure, used as UDD data |