CIF_FIX_AM...ISO_LABELS(1)

📦 version 3.12.0, in debian trixie, ubuntu questing, ubuntu resolute, ubuntu stonking

💖 cif_fix_AMCSD_aniso_labels — bestie edition 💖

ok so this one lives in the General Commands Manual, and honestly? it's giving "niche but essential" energy. iykyk. ✨

🌸 NAME 🌸

cif_fix_AMCSD_aniso_labels — reads your CIF file, assumes it's rolling with AMCSD atom naming conventions, and fixes up the _atom_site_aniso_label values using some heuristics. no cap, that's literally the whole job. 💅

🎀 SYNOPSIS 🎀

cif_fix_AMCSD_aniso_labels --options input1.cif input*.cif

🦋 DESCRIPTION 🦋

okay so picture this: you've got a CIF file. it follows AMCSD atom naming conventions (or at least, we're assuming it does, bestie 🫶). and the _atom_site_aniso_label values? they're a little messy. not a vibe.

so this tool reads the CIF file, assumes the AMCSD atom naming conventions are in play, and corrects the _atom_site_aniso_label values using some heuristics. that's it. that's the whole main character arc. 🌈

✨ OPTIONS ✨

  • --keep-tag-order — keeps the original tag order in the CIF file. this is the default, so if you do nothing, this is what you get. iconic, honestly. 👑
  • --sort-tags — reorders the tags in the CIF file according to COD. if you like your tags alphabetised-adjacent and tidy, this is your moment.
  • --use-perl-parser — uses the Perl parser to parse CIF files. vintage. retro. a little chaotic. 💜
  • --use-c-parser — uses the C parser to parse CIF files. this is the default, so it's the one pulling up in the group chat by default. 🔥
  • --help, --usage — outputs a short usage message (this message!) and exits. your little guide when you're lost. 🧚
  • --version — outputs version information and exits. slay. ⭐

😭 REPORTING BUGS 😭

found a bug? don't suffer in silence, bestie. report cif_fix_AMCSD_aniso_labels bugs using e-mail: cod-bugs@ibt.lt

we love a paper trail. 🍓

heads up: --keep-tag-order and --use-c-parser are both the defaults, so if you're not sure what you want, you already have it. 💖

ok bye bestie, go fix those aniso labels 💅✨ this page is from the General Commands Manual — CIF_FIX_AM...ISO_LABELS(1) — and that's the whole thing, no cap. 🎀🦋🌸

📦 where this page comes from