ost::conop Namespace Reference

Namespaces
namespace	detail

Data Structures
class	Builder
	abstract builder interface More...
struct	Date
struct	AtomSpec
struct	BondSpec
class	Compound
	Knows about the atoms and bonds of a chemical compounds. More...
class	CompoundLib
class	Conopology
class	HeuristicBuilder
class	RingFinder
	Class for finding rings in an entity. More...
class	RuleBasedBuilder
	Use library of chemical compounds to derive bonds and clean-up structural problems. More...

Typedefs
typedef boost::shared_ptr < Builder >	BuilderP
typedef std::vector< AtomSpec >	AtomSpecList
typedef std::vector< BondSpec >	BondSpecList
typedef boost::shared_ptr < Compound >	CompoundPtr
typedef boost::shared_ptr < CompoundLib >	CompoundLibPtr
typedef std::map< String, CompoundPtr >	CompoundMap

Enumerations
enum	Dialect { PDB_DIALECT, CHARMM_DIALECT }
enum	ConopFlag { NO_PEPTIDE_BONDS = 1 }

Functions
def	ConnectAll

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Typedef Documentation

typedef std::vector<AtomSpec> AtomSpecList

Definition at line 106 of file compound.hh.

typedef std::vector<BondSpec> BondSpecList

Definition at line 107 of file compound.hh.

typedef boost::shared_ptr<Builder> BuilderP

Definition at line 26 of file builder_fw.hh.

typedef boost::shared_ptr<CompoundLib> CompoundLibPtr

Definition at line 33 of file compound_lib.hh.

typedef std::map<String, CompoundPtr> CompoundMap

Definition at line 36 of file compound_lib.hh.

typedef boost::shared_ptr<Compound> CompoundPtr

Definition at line 108 of file compound.hh.

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Enumeration Type Documentation

enum ConopFlag

Enumerator:

NO_PEPTIDE_BONDS

Definition at line 30 of file conop.hh.

enum Dialect

Enumerator:

PDB_DIALECT
CHARMM_DIALECT

Definition at line 32 of file builder.hh.

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Function Documentation

def ost.conop.ConnectAll

(

ent

)

Definition at line 21 of file __init__.py.