load_ligand.py File Reference

Namespaces
	pyrosetta.toolbox.load_ligand

Functions
def	pyrosetta.toolbox.load_ligand.load_from_pubchem
	methods for obtaining ligand chemical files and producing params .files More...
def	pyrosetta.toolbox.load_ligand.sdf2mdl
def	pyrosetta.toolbox.load_ligand.molfile2params_quick
def	pyrosetta.toolbox.load_ligand.params_from_pubchem
def	pyrosetta.toolbox.load_ligand.add_cid_to_database
def	pyrosetta.toolbox.load_ligand.pose_from_pubchem
	returns a pose of the molecule More...
def	pyrosetta.toolbox.load_ligand.pose_from_params

Variables
tuple	pyrosetta.toolbox.load_ligand.database = os.path.abspath(os.environ["PYROSETTA_DATABASE"])
	Permanent solution, add the .params to the minirosetta_database of PyRosetta. More...
string	pyrosetta.toolbox.load_ligand.fa_standard = database+"/chemical/residue_type_sets/fa_standard/"
string	pyrosetta.toolbox.load_ligand.fa_custom = "residue_types/custom"

Detailed Description

Author

Evan H. Baugh, Johns Hopkins University