Getting Started Molecules

Creating Molecules

Molecules can be created in a few different ways. You can either use a file path with Molecule.FromFile(path):

//Creates a molecule from cif file
const string path = "files/cif.cif";
var mol = Molecule.FromFile(path);

or you may have a stream of the file somewhere in your application:

//Creates a molecule from cif file stream
const string extension = "cif";
var mol = Molecule.FromStream(stream, extension);

or by explicitly call the FileFormats.Read or ReadFromStream Methods

//Creates a molecule from cif file
const string path = "files/cif.cif";
var mol = CifFormat.Read(path);