5.10. MOL2 file format — MDAnalysis.coordinates.MOL2
¶
Classes to read Tripos molecule structure format (MOL2) coordinate and topology files. Used by the DOCK docking code.
Examples
To open a mol2, remove all hydrogens and save as a new file, use the following:
u = Universe("MDAnalysis/testsuite/MDAnalysisTests/data/mol2/Molecule.mol2")
gr = u.select_atoms("not name H*")
print len(u.atoms), len(gr)
gr.write("Molecule_noh.mol2")