SUPYCOMB(1)

📦
version 2026.2 · 4 versions
, in ubuntu resolute, ubuntu stonking

💖 SUPYCOMB — the manual, but make it cute ✨

okay bestie, welcome to supycomb 2026.2 💅 this is a User Command and it's lowkey iconic, so let's get into it 🫶

🌸 DESCRIPTION 🌸

the vibe is: you hand it a bunch of models, it lines them up, and it does the math for NSD. that's it, that's the whole thing. ✨

the usage goes like this:

usage: supycomp [OPTIONS] FILES
🙈 yes, the usage line literally says supycomp and not supycomb. that's not me being messy, that's just what it says, so I'm keeping it fr fr.

what does it do? Align several models and calculate NSD 👑

🎀 positional arguments:

  • FILE — the pdb files to align, bestie. drop 'em in, that's your lineup 📁

✨ OPTIONS ✨

one bullet per flag, no skipping, we respect all of them equally 💖

  • -h, --help — show this help message and exit. your lil escape hatch when you're confused 🫶
  • -v, --verbose — switch to verbose mode. it will tell you EVERYTHING. main character energy, no filter 💬
  • -V, --version — show the program's version number and exit. a quick lil flex 👑
  • -m, --mode {SLOW,FAST} — either SLOW or FAST, default: SLOW). pick your speed, choose your fighter 🏃♀️
  • -e, --enantiomorphs {YES,NO} — Search enantiomorphs, YES or NO, default: YES). yes it searches for the mirror-y ones, and yes it does that by default 🪞
  • -q, --quiet {ON,OFF} — Hide log or not, default: ON). the log is shy by default, apparently 🤫
  • -g, --gui {YES,NO} — Use GUI for figures or not, default: YES). cute little windows for your figures, on by default 🖼️
  • -o, --output OUTPUT — output filename, default: aligned.pdb). name your baby whatever you want, or let it default 💾

🧚 the lore (aka why it exists)

supycomb is an open-source implementation of [J. Appl. Cryst. (2001). 34, 33-41](doi:10.1107/S0021889800014126). 📖

The main difference with supcomb: the fast mode does not re-bin beads. It only refines the best matching orientation which provides a speed-up of a factor 8. ⚡

🔥 that's a whole factor of 8, bestie. not a typo. ate and left no crumbs.

🌈 SEE ALSO 🌈

The full documentation for supycomb is maintained as a Texinfo manual. If the info and supycomb programs are properly installed at your site, the command

info supycomb

should give you access to the complete manual. 📚✨

and that's the whole page, gorgeous 💖 this was supycomb 2026.2, dated March 2026 — go align some models and slay 👑🦋💅

📦 where this page comes from