mFES - molecular Finite Element Solver  0.4
Classes | Typedefs | Variables
LSMS.h File Reference

Wraps methods used by LSMS to build the initial fine grained molecular surface of a protein. More...

#include <fstream>
#include <sstream>
#include <math.h>
#include <vector>
#include "VCG.h"
#include "LSMS/molTypes.h"
#include "LSMS/gridTypes.h"
#include "LSMS/grid.h"
#include "LSMS/pdbLoader.h"
#include "LSMS/sceneBuilder.h"

Go to the source code of this file.

Classes

class  STLFacet
class  LSMS
 A small LSMS wrapper which is directly using some methods or calling them from LSMS lib files. More...

Typedefs

typedef boost::property_tree::ptree INI
typedef mMesh::FaceIterator FaceIterator
typedef mMesh::VertexIterator VertexIterator

Variables

Molecule mol = NULL
float minx
float miny
float minz
float maxx
float maxy
float maxz
double s

Detailed Description

Wraps methods used by LSMS to build the initial fine grained molecular surface of a protein.

This file uses LSMS developed by Tolga Can <http://www.ceng.metu.edu.tr/~tcan/LSMS/>. Some special cases like the one atom possibility, some memory leaks and some small boundary issues scaling the protein are solved.

Author:
Ilkay Sakalli

Typedef Documentation

typedef boost::property_tree::ptree INI

Variable Documentation

float maxx
float maxy
float maxz
float minx
float miny
float minz
Molecule mol = NULL
double s