Showing 1 open source project for "ring"

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    MolTPC

    MolTPC

    MolTPC provides a solution for fully automatic tautomer enumeration.

    ...The few freely available software packages limit their output to a subset of the possible configurational space by sometimes unwanted prior assumptions and complete neglection of ring-chain tautomerism. MolTPC provides an adjustable and fully automatic approach for this problem. The original publication can be found on http://onlinelibrary.wiley.com/doi/10.1002/jcc.23397/full.
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