lib/PRO.h File Reference

#include <stdlib.h>
#include <cmath>
#include <fstream>
#include <iostream>
#include <sstream>
#include <iomanip>
#include <string>
#include <map>
#include <limits>
#include <algorithm>
#include <vector>
#include <functional>

Include dependency graph for PRO.h:

Namespaces
namespace	std
Classes
class	AAProperty
class	Atom
class	Hetatm
class	Cofactor
class	Residue
class	Chain
class	Protein
class	hsp
Defines
#define	MAX(a, b)   a>b? a:b
#define	MIN(a, b)   a>b? b:a
#define	CONV   (180./acos(-1.))
#define	Rvdw   1.8
#define	Dvdw   3.6
#define	MAX_HOMOLOGY   100
Functions
int	lowercase (char *s)
int	chopSpace (char *s)
ofstream &	operator<< (ofstream &ostrm, Atom &atom)
float	bondLengthLimit (Atom &aa, Atom &bb)
ofstream &	operator<< (ofstream &ostrm, Residue residue)
ofstream &	operator<< (ofstream &ostrm, Chain chain)
Variables
AAProperty	cys ("CYS ","C","Cysteine", 1)
AAProperty	phe ("PHE ","F","Phenylalanine", 1)
AAProperty	ile ("ILE ","I","Isoleucine", 1)
AAProperty	leu ("LEU ","L","Leucine", 1)
AAProperty	met ("MET ","M","Methionine", 1)
AAProperty	val ("VAL ","V","Valine", 1)
AAProperty	trp ("TRP ","W","Tryptophan", 1)
AAProperty	gly ("GLY ","G","Glycine", 0)
AAProperty	ala ("ALA ","A","Alanine", 0)
AAProperty	pro ("PRO ","P","Proline", 0)
AAProperty	ser ("SER ","S","Serine", 0)
AAProperty	thr ("THR ","T","Threonine", 0)
AAProperty	asn ("ASN ","N","Asparagine", 0)
AAProperty	gln ("GLN ","Q","Glutamine", 0)
AAProperty	asp ("ASP ","D","Aspartic acid", 0)
AAProperty	glu ("GLU ","E","Glutamic acid", 0)
AAProperty	tyr ("TYR ","Y","Tyrosine", 0)
AAProperty	lys ("LYS ","K","Lysine", 0)
AAProperty	his ("HIS ","H","Histidine", 0)
AAProperty	arg ("ARG ","R","Arginine", 0)
map< string, AAProperty >	mapAAProperty

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Define Documentation

#define CONV   (180./acos(-1.))

#define Dvdw   3.6

#define MAX (  a, b   )     a>b? a:b

#define MAX_HOMOLOGY   100

#define MIN (  a, b   )     a>b? b:a

#define Rvdw   1.8

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Function Documentation

float bondLengthLimit (  Atom &  aa, Atom &  bb )

int chopSpace (  char *  s  )

int lowercase (  char *  s  )

ofstream& operator<< (  ofstream &  ostrm, Chain  chain )

ofstream& operator<< (  ofstream &  ostrm, Residue  residue )

ofstream& operator<< (  ofstream &  ostrm, Atom &  atom )

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Variable Documentation

AAProperty ala("ALA ","A","Alanine", 0)

AAProperty arg("ARG ","R","Arginine", 0)

AAProperty asn("ASN ","N","Asparagine", 0)

AAProperty asp("ASP ","D","Aspartic acid", 0)

AAProperty cys("CYS ","C","Cysteine", 1)

AAProperty gln("GLN ","Q","Glutamine", 0)

AAProperty glu("GLU ","E","Glutamic acid", 0)

AAProperty gly("GLY ","G","Glycine", 0)

AAProperty his("HIS ","H","Histidine", 0)

AAProperty ile("ILE ","I","Isoleucine", 1)

AAProperty leu("LEU ","L","Leucine", 1)

AAProperty lys("LYS ","K","Lysine", 0)

map<string, AAProperty> mapAAProperty

AAProperty met("MET ","M","Methionine", 1)

AAProperty phe("PHE ","F","Phenylalanine", 1)

AAProperty pro("PRO ","P","Proline", 0)

AAProperty ser("SER ","S","Serine", 0)

AAProperty thr("THR ","T","Threonine", 0)

AAProperty trp("TRP ","W","Tryptophan", 1)

AAProperty tyr("TYR ","Y","Tyrosine", 0)

AAProperty val("VAL ","V","Valine", 1)

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