Parameters
list[State]
required
str | None
default:"None"
float | None
default:"None"
Methods
get_total_energy
dump_config
Saves information about how each energy term was configured in a csv file named “config.csv”. Columns include ‘state_name’, ‘energy_name’, and ‘weight’. Parameterspl.Path
required
The directory in which the config.csv file will be created.
add_chain
Add a chain to the state. Parametersstr
required
amino acid sequence of the chain
list[int]
required
list of 0s and 1s indicating if the residue is mutable or not
str
required
list[int]
required
index of the state in the system