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mojaie / MolecularGraph.jl

Graph-based molecule modeling toolkit for cheminformatics
MIT License
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sdfilewriter should be closed #35

Closed mojaie closed 3 years ago

mojaie commented 3 years ago

Unexpectedly large output of sdfilewriter would be truncated. The buffer should be closed.

o = open("out.sdf", "w")
for m in mols
    printv2sdf(o, m)
end
close(o)  # Necessary