PROFASI
Version 1.5
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Record corresponding to one atom in a PDB file. More...
#include <AtomRecord.hh>
Public Member Functions | |
int | set_fields (std::string, AtomLabelDictionary *d) |
Set up fields based on a PDB line. | |
void | build_pdb_line_from_fields () |
Create a PDB line from stored information. | |
AtomDescriptor & | descriptor () |
Access to the contained AtomDescriptor object. | |
Vector3 | coordinates () |
Access to the coordinates. | |
std::string | pdb_line () |
The corresponding PDB line. | |
bool | operator== (AtomRecord &rcd) |
Comparison with another record. | |
void | print_info () |
Print. | |
Essentially, this is an AtomDescriptor plus 3D coordinates for an atom.