Hi, I have tested a few RXN files on Openbabel GUI on Windows but 0 result has been output. One of the RXN file is attached. I temporarily have to use Regexp to parse the RXN format to SDF as C# code as pasted below. It is even not trusted by myself.
f = Regex.Replace(f, "\\$RXN(.*?)\\$MOL\\r?\\n", "",
RegexOptions.Singleline);
f = Regex.Replace(f, "\\$MOL", "$$$$$$$$",
RegexOptions.Singleline);
f = f + "$$$$\r\n";
Anyone knows what's the matter?
Thanks,
Charlie
rxn-2.rxn
Description: Binary data
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