load_ligand.py File Reference

Namespaces
	toolbox.load_ligand

Functions
def	toolbox.load_ligand.load_from_pubchem
	methods for obtaining ligand chemical files and producing params .files More...
def	toolbox.load_ligand.sdf2mdl
def	toolbox.load_ligand.molfile2params_quick
def	toolbox.load_ligand.generate_nonstandard_residue_set
	Temporary solution, load the ligand for this session. More...
def	toolbox.load_ligand.params_from_pubchem
def	toolbox.load_ligand.add_cid_to_database
def	toolbox.load_ligand.pose_from_pubchem
	returns a pose of the molecule More...
def	toolbox.load_ligand.pose_from_params

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

Detailed Description

Author

Evan H. Baugh, Johns Hopkins University