List of the main variables
Contents
Version
2.11
Contact
Please report problems/bugs to michael.holmboe@umu.se
Main types of variables used in the atom MATLAB library
- Atom_label % 1xn cell array
- atom % The main matlab struct variable
- Box_dim % A 1x3 or 1x9 array variable holding the Box size parameters
- Cell % A 1x6 array variable containing the a, b, c cell values and the alfa, beta, gamma angle values as used in a typical .pdb file
- distance_factor % variable related to finding the nearest neighbours or bonds based on different atomtypes vdw radii.
- limits % A 1x6 array defining a volumetric region
- rmaxshort % Maximum H-related bond radius
- rmaxlong % Maximum non-H-related bond/neighbor radius
- XYZ_data % A nx3 matrix holdnig the XYZ-coordinates
- XYZ_labels % A cell list om atom types