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

An abstraction of one model in a PDB file. More...

#include <PDBReader.hh>

Public Member Functions

int index_of_res (std::string chid, std::string resnum)
 Translate residue number written in file.
 
int index_of (std::string chid)
 Return index of a given chain id.
 

Detailed Description

When a PDB file is parsed, it is convenient to find out what models it contains, and store enough information about the models, so that a particular model can be easily selected for further processing.

Member Function Documentation

int prf::PDB_model::index_of_res ( std::string  chid,
std::string  resnum 
)

Residue numbers written in a PDB file may start from 634, may not even be strictly numeric in nature. This function takes one such number label, and translates it into an integer index, measured from the first residue in the file for that chain.

The first residue is numbered 0, no matter what it is called in the PDB file. Given any PDB file, however bizarre, there exists this numbering relative to the first residue in that file, which is well defined. At least that is the faith.


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