Definition
The globular energy is the standard deviation of backbone atom distances from the group centroid, promoting spherical compactness.- are backbone atom positions
- is the centroid of the backbone atoms in the group
- is the standard deviation over all backbone atoms in the group
Parameters
Oracle
required
The oracle to use for the energy term.
list[Residue] | None
default:"None"
Which residues to include in the calculation. Considers all residues by default.
bool
default:"True"
If a new residue is added next to a residue included in this energy term, this dictates whether that new residue could then be added to this energy term.
float
default:"1.0"
The weight of the energy term.
str | None
default:"None"
Optional name to append to the energy term name.
Methods
compute
ParametersOraclesResultDict
required