smutao / pyvibms Goto Github PK

Hi, I'm having some trouble when trying to open some .log files from a gaussian calculated transition state and trying to visualize the vibrations. It opens the structure but it doesn't recognise the vibrations and no vibration modes appear, also the lattice vectors origin shows as 0.0, 0.0, 0.0.

The messages that appear when opening the file are:
line 2155, in loadxyz
parse_g16(xyz_file_path)

line 706, in parse_g16
nvib,natom = count_atom(container)
^^^^^^^^^^^^^^^^^^^^^

line 169, in count_atom
natom = f2[0] - f1[0] - 1
~~^^^

IndexError: list index out of range

Do you have any idea what the problem might be and how to fix it?
Thanks

I had my PyMOL with student license. After the installation of the plugin, I can't get the visualization of the molecule I want but instead something like this:

My friend also used the same input file with exactly the same procedure in his computer and it worked:

I also had him checked all of my procedure and nothing was wrong.
Is the student license a problem, does it limit what I can do?