Skip to main content

Parameters

n_mutations
int
default:"1"
Number of mutations to perform in each step.
mutation_bias
Dict[str, float]
default:"mutation_bias_no_cystein"
Bias for the substitution. The keys are the amino acids, the values are the probabilities.
exclude_self
bool
default:"True"

Methods

one_step

Parameters
system
System
required

Example

import bagel as bg

residues = [bg.Residue(name='A', chain_ID='A', index=i, mutable=True) for i in range(6)]
state = bg.State(name='state_A', chains=[bg.Chain(residues)], energy_terms=[])
system = bg.System(states=[state])

mutator = bg.mutation.Canonical(n_mutations=1)
mutated_system, mutation_record = mutator.one_step(system)