Package MolKit :: Package pdb2pqr :: Package src :: Module pdb :: Class MOL2MOLECULE
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Class MOL2MOLECULE

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Tripos MOL2 molecule For further information look at (web page exists: 25 August 2005): http://www.tripos.com/index.php?family=modules,SimplePage,,,&page=sup_mol2&s=0

Instance Methods [hide private]
  __init__(self)
  read(self, file)
Routines for reading MOL2 file
  parseAtoms(self, AtomList)
for parsing @<TRIPOS>ATOM
  parseBonds(self, BondList)
for parsing @<TRIPOS>BOND
  createlBondedAtoms(self)
Creates for each atom a list of the bonded Atoms
  createPDBlineFromMOL2(self)

Method Details [hide private]

__init__(self)
(Constructor)

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None

read(self, file)

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Routines for reading MOL2 file

parseAtoms(self, AtomList)

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for parsing @<TRIPOS>ATOM

parseBonds(self, BondList)

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for parsing @<TRIPOS>BOND

createlBondedAtoms(self)

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Creates for each atom a list of the bonded Atoms

This becomes one attribute of MOL2ATOM!

createPDBlineFromMOL2(self)

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None