| Description |
Usage |
| Description of module |
  |
Actions
The following actions are part of this module
| Name |
Description |
| BRIDGE |
Calculate the number of atoms that bridge two parts of a structure |
| BRIDGE_MATRIX |
Calculate a matrix with elements equal to one if there is a bridging atom between the two atoms |
| CONTACT_MATRIX |
Adjacency matrix in which two atoms are adjacent if they are within a certain cutoff. |
| DISTANCE_MATRIX |
Calculate a matrix of distances between atoms. |
| HBOND_MATRIX |
Adjacency matrix in which two atoms are adjacent if there is a hydrogen bond between them. |
| NEIGHBORS |
Build a matrix with ones in for the N nearest neighbours of an atom |
| TOPOLOGY_MATRIX |
Adjacency matrix in which two atoms are adjacent if they are connected topologically |
| TORSIONS_MATRIX |
Calculate the matrix of torsions between two vectors of molecules |
