A ContactFunction based on spatial proximity. More...
#include <ContactFunctions.hh>
Public Member Functions | |
| void | minimum_links (int nlnk) |
| Minimum number of close pairs of heavy atoms for a contact, default=2. | |
Detailed Description
This contact function returns true if the two concerned amino acids are close in space. The closeness is defined in this way: If a heavy atom in amino acid i is closer than a certain given cutoff distance to any heavy atom in amino acid j, there is said to be a link between the two residues. The residues are said to be in contact if there is at least two (or some other number specified by the minimum_links(int) function) links between them. The cutoff distance is tunable. This contact function needs an initialization with a Population * as the argument.
Member Function Documentation
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inline |
If you set minimum links to 1, this contact function will work like a simple heavy atom contact function.
The documentation for this class was generated from the following files:
- model/Observables/ContactFunctions.hh
- model/Observables/ContactFunctions.cc