Kevin
Duquesne University
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Submitted
GetAtomCoords
A function to retrieve the coordinates for all atoms in a Materials Studio file(s) and subsequently calculate the molecular desc...
4 years ago | 1 download |
Submitted
R3mCalculate
A function to calculate the molecular descriptor R3m (R-GETAWAY third order autocorrelation index weighted by atomic mass).
4 years ago | 1 download |
