8000 A typo in the section "Command line tool examples" · Issue #19 · forlilab/molscrub · GitHub
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A typo in the section "Command line tool examples" #19

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LAJ-THU opened this issue Apr 16, 2025 · 0 comments
Open

A typo in the section "Command line tool examples" #19

LAJ-THU opened this issue Apr 16, 2025 · 0 comments

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@LAJ-THU
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LAJ-THU commented Apr 16, 2025

In the section "Command line tool examples" of the current README file, I found a typo:
scrub.py "c1cc[nH]c(=O)c1" -o scrubbed.sdf --pH 5 --skip_gen3d
Actually, the parameter --pH 5 should be --ph 5
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