CIF_FILLCELL(1)

✨ CIF_FILLCELL 💅

okay bestie, so cif_fillcell is a General Commands Manual girlie, section 1, and she's here to do exactly one thing and do it iconically: generate symmetric atoms from a CIF file. no cap. that's the whole assignment and she ate. 🫶

🌸 NAME 🌸

cif_fillcell — generate symmetric atoms from a CIF file.

🎀 SYNOPSIS 🎀

cif_fillcell --options input.cif inputs*.cif

🦋 DESCRIPTION 🦋

Generate symmetric atoms from a CIF file.

like. that's it. that's the vibe. symmetric atoms, generated, from your CIF. main character energy fr fr ✨

💖 OPTIONS 💖

• --merge-special-positions — merge atoms that are located in special positions. combining them. one atom. slay.
• --no-merge-special-positions, --dont-merge-special-positions — output unmerged special positions. this is the default, so if you do nothing, this is the girl you get 💅
• --supercell — build the 3x3x3 supercell by shifting atoms of the unit cell in all 3D directions. three by three by three. in all the directions. she's expanding 👑
• --unit-cell, --no-supercell — only build the unit cell. this is the default too, so the chill version is what you get unless you ask for more 🌸
• --output-cod-molecule-data-items — print _cod_molecule_* data items describing the transformations of atoms. receipts! for the transformations! 🧚
• --no-output-cod-molecule-data-items, --dont-output-cod-molecule-data-items — do not print _cod_molecule_* data items. this one's the default, so the receipts stay in the drafts folder 🙈
• --use-c-parser — use the faster C parser for CIFs. this is the default, and yes she's fast, it's giving speed 💀
• --use-perl-parser — use the Perl parser for parsing CIFs. the other option. the perl one. 🌈
• --help, --usage — output a short usage message (this message) and exit. literally just the help, bestie, then she's out ✌️
• --version — output version information and exit. who is she? find out 🎀

😭 REPORTING BUGS 😭

found a bug? spill. report cif_fillcell bugs using e-mail: cod-bugs@ibt.lt 📧

don't be shy, they wanna know, fr fr.

okay that's the whole page bestie, and the footer vibes are literally just CIF_FILLCELL(1) — same name as the header, she's consistent, she's iconic 💜 go generate some symmetric atoms, i'm obsessed 🦋✨