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From: Thijs B. <th...@me...> - 2004-10-08 20:26:10
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Hi,
I am trying to modify the JOEAtom class to contain a field for the atom
name,
e.g by reading the second token of a sybylmol2 atom line with
atom.setAtomName(atom_name) in the SybylMol2 class
and the methods in JOEAtom.
public void setAtomName(String atomname)
{
_atomname = new String(atomname);
}
public String getAtomName()
{
return (_atomname);
}
I can't retrieve the stored names however when i iterate over the atoms
from a JOEMol:
for(int i=1;i<=mol.numAtoms();i++){
JOEAtom atom = mol.getAtom(i);
System.out.println(atom.getAtomName());
}
all the names are null.
Any suggestions?
Thanks.
---
Thijs Beuming
Harel Weinstein Lab
Department of Physiology & Biophysics
Weill Medical College of Cornell University
1300 York Avenue, Box 75
New York, NY 10021
Tel: (212) 7466539
Fax: (212) 746-6361
th...@me...
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