C2M: Configurable Chemical Middleware
Author Information
Author(s): Paul van der Vet, Hans E. Roosendaal, Peter A. T. M. Geurts
Primary Institution: University of Twente
Hypothesis
C2M aims to equip scientists with a wrapper generator on their desktop to facilitate format conversion.
Conclusion
Preliminary experiments indicate that the C2M approach presents a viable way to address problems of conversion.
Supporting Evidence
- C2M allows users to specify formats in plaintext files that can be edited with any text editor.
- The system can handle a variety of formats and aims to improve data interoperability.
- Initial experiments show that conversion times are between 1.2 and 1.6 seconds for files with 1000 atoms and bonds.
Takeaway
C2M is a tool that helps scientists convert data between different formats easily, making it simpler to work with various databases.
Methodology
The methodology involves using a two-step conversion process with an intermediate format, where formats are specified in plaintext files.
Limitations
The current implementation is not optimized for speed, and the code generation process can take several seconds for each user specification.
Digital Object Identifier (DOI)
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