NSObject
|
+---MTStructure
Class MTStructure is the top class of the hierarchical mapping of PDB files to
object space.
-(MTChain *)addChain:(MTChain*)p_chain
add a chain to this structure
adds a new model, makes it the active context and returns its number
returns an enumerator over all chains of this structure
returns the number of the currently active model
returns the date of deposition of the structure (from HEADER entry)
returns the type of the structure determination method
Structure_XRay=100
Structure_NMR=101
Structure_TheoreticalModel=102
Structure_Other=103
Structure_Unknown=104
-(MTChain*)getChain:(NSNumber*)p_chain
access chain by its code
-(id)getDescriptorForKey:(NSString*)key
the structure keeps a dictionary of descriptors which can be accessed through their key
returns the header of the structure (HEADER entry, without date and code)
-(NSString*)hetnameForKey:(NSString*)key
return the description of a hetero group (HETNAM entries)
returns the list of keywords of the structure (KEYWDS entry)
returns the number of models in this structure
returns the 4 character PDB code
-(void)removeChain:(MTChain*)p_chain
remove a chain from this structure
removes the currently active model
returns the resolution of the structure determination (if applicable)
returns the date of the last revision of the structure (REVDAT entries)
-(void)setDescriptor:(id)desc withKey:(NSString*)key
-(void)switchToModel:(int)p_mnum
switches context to the indicated model
returns the title of the structure (TITLE entry)
-(void)writePDBFile:(NSString*)p_fn
write this structure to a file in PDB format
-(void)writePDBToStream:(MTStream*)stream