Package schrodinger :: Package application :: Package mcpro :: Module zmat :: Class proteinHandler
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Class proteinHandler

Class provides methods to write the pepz input file

Instance Methods [hide private]
 
__init__(self, outfh=None)
 
getCt(self)
Method to return the current protein ct
 
reorderResidues(self)
Method to reorder protein residues sequentially Acts on the self.prot_ct object.
 
importReceptor(self, pdbOrder, infile='', inpProtCt='', changeCys=False)
Import the receptor assumed to be in pdb grouped order in *.pdb or *.mae format
 
exportReceptor(self, outfile, pdb_version)
Export the receptor structure in *.pdb format
 
write_ct_pdb_psp(self, ct, filename, pdb_version, mode='write', error_handler=None)
Write a CT to a PDB format file with MMPDB_PSP_MODE option active to ensure residue names in ct are output to PDB file
Method Details [hide private]

reorderResidues(self)

 

Method to reorder protein residues sequentially Acts on the self.prot_ct object. If chain=0 the chains are removed. If chain != 0 chains are kept