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output file arrangement #19

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BrandeisPatrick opened this issue Dec 19, 2022 · 0 comments

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BrandeisPatrick commented Dec 19, 2022

Description:

all output files write in working directory.
antechamber, tleap, obabel output files are mixed together

Current Solution:
build a class to designate the relative path of the output files,
cp files,
check output integrity.

BrandeisPatrick added the enhancement label

BrandeisPatrick self-assigned this

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