nuget
A molecule (or a collection of protein chains) topology model.
Molecule
Type Parameters
| Name | Description |
|---|---|
T | The atom model type, must be derived from Atom and exposes a public parameter-less constructor. Making the container generic keeps the domain specific atom types (e.g. the AutoDock Vina atom model) strongly typed, so that the caller does not need any down-casting operation. |
01 Syntax
SMRUCC.genomics.Data.RCSB.PDB.Structures.Molecule`1
02 Methods
03 Properties
04 Members
AtomCount
Get the atom count of current molecule.
Clone(
String)Create a shallow clone of current molecule: the atom instances are shared with the source molecule, but the bond list is a new list.
Parameters
| Name | Type | Description |
|---|---|---|
id | String | The molecule id of the cloned result, nothing then keeps the original id value. |
Atoms
The atom sites of current molecule.
Bonds
The covalent bonds of current molecule.
Id
The molecule title or the source file basename.
ToString()