CIF_FIX_AM...ATOM_LABELS(1)

💖 CIF_FIX_AM...ATOM_LABELS(1) 💖

okay bestie, so this is a General Commands Manual page, and the command itself is literally called cif_fix_AMCSD_atom_labels. yes it's a mouthful. yes it's iconic. let's go ✨

🌸 NAME 🌸

cif_fix_AMCSD_atom_labels — read the CIF file, assuming that it follows AMCSD atom naming conventions, and correct duplicated _atom_site_label and _atom_site_aniso_label values.

like. it reads your CIF, assumes you're rolling with AMCSD atom naming conventions, and then goes in and fixes the duplicated _atom_site_label and _atom_site_aniso_label values. that's the whole gig 🫶

🎀 SYNOPSIS 🎀

cif_fix_AMCSD_atom_labels --options input1.cif input*.cif

🦋 DESCRIPTION 🦋

Read the CIF file, assuming that it follows AMCSD atom naming conventions, and correct duplicated _atom_site_label and _atom_site_aniso_label values.

that's it. that's the vibe. it opens your CIF, treats the atom naming like it's AMCSD-style, and patches up the duplicate labels so nothing's out here clashing. lowkey essential, highkey underrated 💅

✨ OPTIONS ✨

• --keep-tag-order — Keep the original tag order in CIF file (default). she leaves your tags exactly where they were sitting, no rearranging, no touching. this is the default behaviour, so if you say nothing, this is what you get 🌸
• --sort-tags — Reorder tags in CIF file according to COD. if you want your tags sorted the COD way instead, this is your girl 🎀
• --use-perl-parser — Use Perl parser to parse CIF files. perl girlies rise 🐪
• --use-c-parser — Use C parser to parse CIF files (default). the C parser is the default, no cap 💯
• --help, --usage — Output a short usage message (this message) and exit. it just tells you how to use it and dips 👋
• --version — Output version information and exit. tells you which version you're on, then bounces ✨

💀 REPORTING BUGS 💀

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

ngl if something's acting up, hit up that inbox fr fr. they wanna know 🙈

okay and for the little sign-off moment: this page lives under the name CIF_FIX_AM...ATOM_LABELS(1) — that's the manual name, front and back, the header and the footer, matching like a matching set 🎀 the general commands manual, top and bottom, periodt. 💖 ✨ 🦋 💅