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molden
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A simple Computational Chemistry script written in Python to calculate bond lengths, BLA value (Bond Length Alternation), center of masses (CoM), distances between center of masses and bond angles of the given molecules and bonds, starting from a standard .xyz geometry file.
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Dec 26, 2021 - Python
Remove the need to click the Skull Icon to leave Molden
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Oct 2, 2023
Simple program to calculate Hydrogen Bonds
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Updated
Apr 26, 2020 - Python
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