RDKit implementation of ConfBuster - a macrocycle conformer generator. Available on conda.
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Updated
Jun 24, 2020 - Python
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macrocycles
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A NICS-based multi-dimensional method to visualise areas of aromaticity and antiaromaticity in molecules. NICS values are calculated using Gaussian. Developed as part of an MChem project at Loughborough University.
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Updated
Apr 25, 2022 - Python
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