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It would be nice to have a command line wrapper exe #14

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UnixJunkie opened this issue Feb 25, 2020 · 1 comment
Open

It would be nice to have a command line wrapper exe #14

UnixJunkie opened this issue Feb 25, 2020 · 1 comment

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@UnixJunkie
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For example:

std -i input.smi -o output_std.smi [-np NPROCS]

The option to process molecules in parallel on a given number of CPUs is also
for people working with large files.
@marinegor marinegor mentioned this issue Sep 4, 2021
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@UnixJunkie
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there is a PR for this one!

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@UnixJunkie