load_ligand.py File Reference

Namespaces
	pyrosetta.toolbox.load_ligand

Functions
def	pyrosetta.toolbox.load_ligand.load_from_pubchem (cid, sdffilename="")
	methods for obtaining ligand chemical files and producing params .files More...
def	pyrosetta.toolbox.load_ligand.sdf2mdl (sdfile, mdlfilename)
def	pyrosetta.toolbox.load_ligand.molfile2params_quick (mdlfile, name)
def	pyrosetta.toolbox.load_ligand.params_from_pubchem (cid, name)
def	pyrosetta.toolbox.load_ligand.add_cid_to_database (cid, name)
	Permanent solution, add the .params to the minirosetta_database of PyRosetta this may not work if you manipulated your path variables. More...
def	pyrosetta.toolbox.load_ligand.pose_from_pubchem (cid, name, temporary=True)
	returns a pose of the molecule More...
def	pyrosetta.toolbox.load_ligand.pose_from_params (filename, params_list)

Detailed Description

Author

Evan H. Baugh, Johns Hopkins University