MN.TAUTOMER is Molecular Networks' fast and automatic, rule-based enumerator of tautomeric
states of a chemical compound. The rules encoded automatically detect
substructures in a given input structure that can undergo a tautomeric
transformation. Currently, MN.TAUTOMER supports 17 of the most important
types of tautomerism.
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New Features and Improvements of MN.TAUTOMER Version 1.8
- Improvement and refinement of the internal empirical scoring function
to rank generated tautomers according to their probability of
occurrance in solution
- Output of the N highest ranked tautomers (N is defined by the user)
- Output of the F% highest ranked tautomers (F is defined by the user)
- Full control over the tautomeric transformation rules that shall be
applied to an input structure or suppressed
- Ignoring of structures in multi-record files that show deficiences
or errors in the formatting or structure coding
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Further Information about MN.TAUTOMER Version 1.8
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Product Details:
For further information or details about MN.TAUTOMER, please refer to the
product page or contact
the product manager
Christof H. Schwab.
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Versions:
MN.TAUTOMER is available as stand-alone, command line oriented tool for
batch mode execution for Microsoft Windows, x86 Linux, Sun SPARC (SunOS)
and Silicon Graphics (IRIX) workstations (see also
system requirements).
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Evaluation:
Download the version 1.8 of MN.TAUTOMER in the
Download Area
on Molecular Networks' web server and test it free of charge for a period of 30 days.
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