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

Class MOL2MOLECULE

source code

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)

source code

None

read(self, file)

source code

Routines for reading MOL2 file

parseAtoms(self, AtomList)

source code

for parsing @<TRIPOS>ATOM

parseBonds(self, BondList)

source code

for parsing @<TRIPOS>BOND

createlBondedAtoms(self)

source code

Creates for each atom a list of the bonded Atoms

This becomes one attribute of MOL2ATOM!

createPDBlineFromMOL2(self)

source code

None

Class MOL2MOLECULE

__init__(self) (Constructor)

read(self, file)

parseAtoms(self, AtomList)

parseBonds(self, BondList)

createlBondedAtoms(self)

createPDBlineFromMOL2(self)

init(self)
(Constructor)