Dec 27, 2021 · Again, plotting the molecule, calculating the bond angles and lengths is easy. The problem is to put them on the same image in the right place.

Hi, is it possible to draw a molecule out of an XYZ coordinate file and make the program automatically put the bond lengths or the bond angles on the output ...

Apr 4, 2024 · I used OpenBabel with the --separate option. From the documentation: --separate. Separate disconnected fragments into individual molecular ...

Oct 29, 2015 · I'd like to add that bond angles (as well as bond lengths) of (simple) molecules in the gas phase can be determined by rotational spectroscopy.

Mar 30, 2014 · Now whilst, this looks to be correct, I think that the bond lengths are a little bit too long, and also the angles of the bonds are too steep.

Jan 29, 2023 · Molecular geometry, also known as the molecular structure, is the three-dimensional structure or arrangement of atoms in a molecule.

Nov 11, 2016 · What am I trying to do is to make a script that calculates all chemically reasonable torsion angles in any molecule. For one torsional angle I ...