module Chem::AtomCollection

Direct including types

• Chem::AtomView
• Chem::Chain
• Chem::ChainView
• Chem::Residue
• Chem::ResidueView
• Chem::Structure

Defined in:

chem/core/atom_collection.cr
chem/io/writer.cr

Instance Method Summary

• #atoms : AtomView
• #bonds : Array(Bond)
• #coords : Spatial::CoordinatesProxy
• #each_atom : Iterator(Atom)
• #each_atom(&block : Atom -> )
• #each_fragment(& : AtomView -> ) : Nil
• #formal_charge : Int32
• #formal_charges : Array(Int32)
• #fragments : Array(AtomView)
• #has_hydrogens? : Bool
• #n_atoms : Int32
• #to_gen(output : ::IO | Path | String, *args, **options) : Nil
• #to_gen(*args, **options) : String
• #to_mol2(output : ::IO | Path | String, *args, **options) : Nil
• #to_mol2(*args, **options) : String
• #to_pdb(output : ::IO | Path | String, *args, **options) : Nil
• #to_pdb(*args, **options) : String
• #to_poscar(output : ::IO | Path | String, *args, **options) : Nil
• #to_poscar(*args, **options) : String
• #to_xyz(output : ::IO | Path | String, *args, **options) : Nil
• #to_xyz(*args, **options) : String

Instance Method Detail