Rosetta
2015.31
|
Functions | |
def | get_name_from_params |
def | get_disallowed_ligands |
def | rename_param_file |
def | rename_pdb_file |
def param_utils.get_disallowed_ligands | ( | database | ) |
Return a set of 3 letter names which are already assigned to ligands in the database
References get_name_from_params(), and basic::database.open().
def param_utils.get_name_from_params | ( | path, | |
database | |||
) |
Given the path to a params file, return the IO_STRING value. if it doesn't exist, return None
References ObjexxFCL.len(), basic::database.open(), and utility.split().
Referenced by get_disallowed_ligands().
def param_utils.rename_param_file | ( | param_path, | |
new_name, | |||
new_conformer_path | |||
) |
Rename a param file residue and update the conformer file path
References basic::options::OptionKeys::stepwise.enumerate, and basic::database.open().
def param_utils.rename_pdb_file | ( | pdb_path, | |
new_name | |||
) |
Renames all the HETATM resnames in the specified pdb to new_name
References basic::options::OptionKeys::stepwise.enumerate, ObjexxFCL.len(), and basic::database.open().