ShelXle(1)

📦 version 1.0.1552, in debian bookworm, debian trixie, ubuntu jammy, ubuntu noble, ubuntu resolute, ubuntu stonking

💖 ShelXle — your girl's guide to the SHELXL GUI 💖

okay so bestie, you know how .ins and .res files are just sitting there being all text-y and mysterious? yeah. shelxle is here to fix that. this page lives in the User commands section of the manual, and it's literally about the graphical user interface for SHELXL. no cap.

✨ SYNOPSIS ✨

shelxle

that's it. that's the whole vibe. you just run it. 🫶

🦋 DESCRIPTION 🦋

ShelXle is giving main character energy in the best possible way, because it's actually two things at once:

  • an editor with syntax highlighting for the SHELXL-associated .ins (input) and .res (output) files, and
  • an interactive graphical display for visualization of a three-dimensional structure, including the electron density (Fo) and difference density (Fo-Fc) maps.

so you're editing your files and looking at your pretty pretty structure in 3D, with maps and everything. the way that it does both at once?? obsessed. 😭✨

🎀 OPTIONS 🎀

okay so here's the tea, and I'm gonna be so real with you:

  • There are currently no command-line options supported.

yep. none. zero. the command line is not the moment, the GUI is the moment. 💅

also there's this little fragment in the original that just says "to debugging." and honestly? we don't know her. she's there, we're keeping her, no context provided, not a single clue. iconic behavior, truly. 💀

👑 CITATION 👑

bestie if this program is useful to you, please cite this article, it's the polite thing to do and the author will love you forever:

C. B. Hübschle, G. M. Sheldrick and B. Dittrich, ShelXle: a Qt graphical user interface for SHELXL, J. Appl. Cryst., 44, (2011) 1281-1284.

also, see the following URLs:

🌸 AUTHORS 🌸

the program author is Christian B. Huebschle <chuebsch@moliso.de>. ✨

and this manual page was written by Daniel Leidert <daniel.leidert@wgdd.de> for the Debian distribution (but may be used by others). giving credit where credit is due, as one should. 🫶

and that's the whole page, bestie!! this little writeup is from 2021-09-14, and yeah, it's ShelXle(1) — go open your .ins file and slay. 💜🦋

📦 where this page comes from