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° | Molecule descriptors identify selected molecules |
Molecule descriptors are instances of the class mol_descriptor. Typically,
you loop over all molecule descriptors in the ith selection menu:
for j in range(yasara.selection[i].molecules): molecule=yasara.selection[i].molecule[j]
And then access various molecule properties:
molecule.name | The name of the molecule (that's the chain name in the PDB file) |
molecule.number.inyas | The unique number/ID of the molecule in YASARA (a string) |
molecule.number.inall | The sequential number of the molecule in the soup (a string, starting with 1) |
molecule.number.inobj | The sequential number of the molecule in the object (a string, starting with 1) |
molecule.object | The object descriptor for the object the molecule belongs to |
You could then display the molecule as sticks:
yasara.StickMol(molecule.number.inyas)
Or delete the entire object containing this molecule:
yasara.DelObj(molecule.object.number.inyas)