SlipperySlope

A simple slippage parameter calcualtor (LISP [1] and Basolo Delta)

How to run

The input coordinate file [InputXYZ.xyz] must be in a standard XMol format.

python3 SlipperySlope.py [InputXYZ.xyz]

• Index for the ring: Identifies the idexes of the atoms involved in the reference ring. Must be a list of integers with a space as separator.
• Index for the M atom: This is the index for the M atom. Must be a single integer.

References

1. M. Dalla Tiezza, F. M. Bickelhaupt, L. Orian, ChemistryOpen 2019, 8, 143