Function cif::pdb::reconstruct_pdbx

Function Documentation

bool cif::pdb::reconstruct_pdbx(file &pdbx_file, std::string_view dictionary = "mmcif_pdbx")

Reconstruct all missing categories for an assumed PDBx file.

Some people believe that simply dumping some atom records is enough.

Parameters
  • file – The cif::file that hopefully contains some valid data

  • dictionary – The mmcif dictionary to use

Returns

Returns true if the resulting file is valid