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sdfilereader include associated data items #106
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Just noticed there is |
Thank you very much for the comment. Yes, this should be documented. |
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It would be nice to use one of SDFiles key features and include the associated data to the molfile.
More often than not, some internal ID or molecular properties are also included in the SDFile.
Could be as simple as including a properties dict to the MolGraph struct and parsing the associated data items into this.
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