Module prepwizard


Functions

_count_bonds
_find_waters
_generate_metal_states
_generate_phosphate_states
_generate_sulfate_states
_run_prime_job
_set_oxygen_orders
atomsasl
check_st_valences
convert_selenomethionines
count_phosphates_and_sulfurs
create_disulfide_bonds
extend_phosphate_states
extend_sulfate_states
fill_missing_loops
fill_missing_side_chains
fix_common_structure_mistakes
fix_sulfur_charges
generate_special_states
get_bridging_waters
get_chain_sequences
prepare_for_epik
write_sequences_to_fasta

Variables

EPIK_EXCLUSION_LIST
__package__
maestro
maxvalence
metal_charges

[hide private]