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[enhancement] MAYGEN output as SMILES #40

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adelenelai opened this issue Jul 5, 2021 · 5 comments
Closed

[enhancement] MAYGEN output as SMILES #40

adelenelai opened this issue Jul 5, 2021 · 5 comments

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@adelenelai
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Hi, any possibility to get SMILES as alternative output to SDF? This way we would get more compact output files and would be easier to plot the molecules using standard toolkits. Thanks!
@javadev
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javadev commented Jul 20, 2021

@adelenelai Do you have sample files in SMILES format?

@adelenelai
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Hi @javadev , something like the attached (ignore 2nd column). Thanks!
fluorothreanine.txt

@javadev
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javadev commented Aug 21, 2021

Implemented #47

@javadev
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javadev commented Aug 22, 2021

Issue may be closed, I think. The new key -smi, --smiles was added.

@MehmetAzizYirik
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MehmetAzizYirik commented Aug 24, 2021 •
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We released V1.6 with -smi option.

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@javadev @MehmetAzizYirik @adelenelai