PROFASI  Version 1.5
Public Member Functions | List of all members
prf::AtomRecord Class Reference

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.
AtomDescriptordescriptor ()
 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 ()

Detailed Description

Essentially, this is an AtomDescriptor plus 3D coordinates for an atom.

The documentation for this class was generated from the following files:

PROFASI: Protein Folding and Aggregation Simulator, Version 1.5
© (2005-2016) Anders Irbäck and Sandipan Mohanty
Documentation generated on Mon Jul 18 2016 using Doxygen version 1.8.2