Molecular Networks Announces the Release of the
New Version 3.2 of the 3D Structure Generator CORINA
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New Features and Improvements of CORINA Version 3.2
- Internal canonicalization of connection tables
to prevent any atom numbering dependend artefacts in the 3D coordinate
generation process
- Output of not converted molecules (failure cases)
to a separate file (error file, SDF or SMILES)
- Duplicate check of stereoisomers
(e.g., meso forms) improved by a 64bit hashcoding technique
- Support of SMARTS extensions for hybridization
states in SMILES input files (e.g., [NH2^2], [NH2^3])
- Availability of static library for Microsoft
Windows for an easy integration into existing IT environments
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Further Information on CORINA Version 3.2
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Product Details:
Please refer to the
CORINA product page on Molecular Networks' Web site for more details
or contact the product manager Christof H. Schwab
(schwab|at|molecular-networks.com).
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Versions:
CORINA is available as stand-alone (command line tool) and as library
version (UNIX/Linux: shareable object, MS Windows: static library).
In addition, the stand-alone version can be triggered by the Java-based
graphical user interface CORINA.direct.
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Evaluation:
Download CORINA 3.2 as well as CORINA.direct from Molecular Networks'
Web site at
http://www.mol-net.com
(registered users only) and test it free of charge for a period of 30 days.
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