MTK++ Latest version: 0.2.0

Functions
hybridizeTest.cpp File Reference

Tests the preception to atomic hybridization of ligands from the PDB. More...

#include "Utils/printHeader.h"
#include "Molecule/collection.h"
#include "Molecule/molecule.h"
#include "Molecule/atom.h"
#include "Molecule/bond.h"
#include "Molecule/element.h"
#include "Molecule/connections.h"
#include "Utils/vector3d.h"
#include "Utils/constants.h"
#include "Parsers/elementParser.h"
#include "Parsers/pdbParser.h"
#include "Parsers/sdfParser.h"
#include "Parsers/inputParser.h"
#include "Log/errorHandler.h"
#include "Parsers/commLineOptions.h"
#include <time.h>
#include <iostream>
#include <stdlib.h>
#include <stdio.h>
#include <errno.h>
#include <vector>
#include <map>
#include <algorithm>
#include <sys/stat.h>
Include dependency graph for hybridizeTest.cpp:

Functions

int main (int argc, char **argv)
 Tests MTK++'s preception of atom hybridizations and formal charges, and bond orders of a small molecule pdb file.

Detailed Description

Tests the preception to atomic hybridization of ligands from the PDB.

Author:
Martin Peters
Date:
2010/04/29 19:13:43
Revision:
1.3

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Function Documentation

int main ( int  argc,
char **  argv 
)

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