Hi, I have the following Python code to rename the first residue in a PDB file. The renaming works except that OpenBabel appends a '1', obviously the residue number, to the new name in the mol2 output. How can I force OpenBabel to stop altering my residue name?
import pybel
mol = pybel.readfile('pdb', 'test.pdb').next()
obmol = mol.OBMol
res1 = obmol.GetResidue(0)
res1.SetName('FOOBAR') # appends '1' to 'FOOBAR'
mol.write('mol2', 'test.mol2', overwrite = True)
Cheers,
Hannes.
--
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import pybel
mol = pybel.readfile('pdb', 'test.pdb').next()
obmol = mol.OBMol
res1 = obmol.GetResidue(0)
res1.SetName('FO')
mol.write('mol2', 'test.mol2', overwrite = True)
test.pdb
Description: application/palm-database
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