MTAtom

Objects of class MTAtom represent ATOM and HETATM lines in PDB files.

NEW: every atom can have a partial charge and is of a defined chemical type (element). This information is parsed from and written to PDB files.

Class MTAtom inherits from class MTCoordinates (3.9) and implements the additional methods:

* read-only access
-(NSString*)name	returns name of atom
-(NSNumber*)number	returns serial number of atom
-(double)temperature	returns temperature factor of atom
-(int)element	returns index number of chemical element of this atom: ELEMENT_ID_H = 1   ELEMENT_ID_C = 6   ELEMENT_ID_N = 7   ELEMENT_ID_O = 8   ...  ELEMENT_ID_Unknown = -1 Just to name a few.
-(NSString*)elementName	returns string of element name
-(int)charge	returns partial charge on atom (normally 0)
* bonding
-(NSEnumerator*)allBondedAtoms	returns an enumerator (9.6) over all bonded atoms
-(void)bondTo: (MTAtom*)atm2	add a bond from this atom to the given atm2
-(void)dropAllBonds	remove all bonds
-(void)dropBondTo:(MTAtom*)atm2	remove the bond to atm2
*setters
-(id)setNumber: (int)serial	update atom serial number
-(id)setCharge: (int)chrg	update partial charge on atom
-(id)setElement: (int)elid	set atom to be of chemical type: elid
-(id)setElementWithName: (char*)elname	derive chemical type from atom name
+(MTAtom*)atomWithNumber: (unsigned int)num name: (char*)nm X:(double)x Y:(double)y Z:(double)z B:(double)b	creation of a new atom with the given information