Rosetta  2020.37
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Functions
pdb_to_molfile Namespace Reference

Functions

def dirup
 
def main
 

Function Documentation

def pdb_to_molfile.dirup (   path,
  n = 1 
)
def pdb_to_molfile.main (   argv)
Extracts ligand coordinates from Rosetta PDBs to (re-)generate .mol2 or .sdf files.
Requires an input .mol2 or .sdf file as a template, with the same atoms in the same order
as was used to generate the Rosetta parameter files.

References ObjexxFCL.len(), and utility.upper().