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e7d5609dd3
* pages*: improve wording and list placeholders * clamav: fix verb tenses Co-authored-by: Juri Dispan <juri.dispan@posteo.net> * buzzphrase: use k instead of n for number of phrases Co-authored-by: Juri Dispan <juri.dispan@posteo.net> * adguardhome: use non-default instead of different * adguardhome: use configuration instead of config Co-authored-by: K.B.Dharun Krishna <kbdharunkrishna@gmail.com> * goimports, module: fix list placeholders Co-authored-by: K.B.Dharun Krishna <kbdharunkrishna@gmail.com> * pages*: leave stems and extensions in the same placeholders * pages*: fix list placeholders * pages*: fix list placeholders * pages*: apply suggestions from code review Co-authored-by: Lena <126529524+acuteenvy@users.noreply.github.com> * qpdf: enclose n with backticks Co-authored-by: Lena <126529524+acuteenvy@users.noreply.github.com> --------- Co-authored-by: Juri Dispan <juri.dispan@posteo.net> Co-authored-by: K.B.Dharun Krishna <kbdharunkrishna@gmail.com> Co-authored-by: Lena <126529524+acuteenvy@users.noreply.github.com>
579 B
579 B
obabel
Translate chemistry-related data. More information: https://openbabel.org/wiki/Main_Page.
- Convert a .mol file to XYZ coordinates:
obabel {{path/to/file.mol}} -O {{path/to/output_file.xyz}}
- Convert a SMILES string to a 500x500 picture:
obabel -:"{{SMILES}} -O {{path/to/output_file.png}} -xp 500
- Convert a file of SMILES string to separate 3D .mol files:
obabel {{path/to/file.smi}} -O {{path/to/output_file.mol}} --gen3D -m
- Render multiple inputs into one picture:
obabel {{path/to/file1 path/to/file2 ...}} -O {{path/to/output_file.png}}