MTK++ Latest version: 0.2.0

Public Attributes
MTKpp::stdFeature Struct Reference

Container for standard feature info. More...

#include <mtkpp/src/Molecule/stdFrag.h>

List of all members.

Public Attributes

std::string name
 name of feature
std::vector< int > atoms
 atom indices in feature

Detailed Description

Container for standard feature info.


Member Data Documentation

name of feature

  • HBA Hydrogen Bond Acceptor
  • HBD Hydrogen Bond Donor
  • HPB Hydrophobic
  • PCC Positive Charge Center
  • NCC Negative Charge Center
  • PIC Aromatic Center

Referenced by MTKpp::stdFrag::addStdFeature(), and main().

std::vector<int> MTKpp::stdFeature::atoms

atom indices in feature

Referenced by MTKpp::stdFrag::addStdFeature(), and main().


The documentation for this struct was generated from the following file:

Generated on Fri Dec 23 2011 09:28:57 for MTK++ by Doxygen 1.7.5.1