GABEDIT(1)

📦 version 2.5.1, in debian bookworm, ubuntu jammy, ubuntu noble

🎀 GABEDIT — the gabedit(1) glow-up 💅

okay bestie, so this is the manual for gabedit, and it lives in the User Manual section of your friendly neighborhood man pages. grab a boba, we're doing chemistry ✨

🌸 NAME 🌸

gabedit — a graphical user interface (GUI) to computational chemistry packages 🧪💖

✨ SYNOPSIS ✨

gabedit [filename]

🦋 DESCRIPTION 🦋

gabedit is a graphical user interface (GUI) to computational chemistry (Ab Initio) packages like: GAMESS-US, Gaussian, Molcas, Molpro, MPQC, Q-Chem. the way it helps you generate keywords and options, molecule specifications and the input sections for even the most advanced calculation types?? literally iconic 😭 no cap, it eats.

included is an advanced "Molecule Builder" to rapidly sketch in molecules and examine them in three dimensions. like, 3D. in your actual eyeballs 👀✨

it can further display a variety calculation results — and by "a variety" I mean the good stuff:

  • molecular orbitals 🛰️
  • surfaces from the electron density, electrostatic potential, NMR shielding density 💜
  • IR and Raman computed spectra 📈
  • ... (yes it just trails off like that, the list goes on and on, she's mysterious like that 💅)

most major molecular file formats are supported 🫶

📸 exporting? oh we EXPORT 📸

exporting of a variety of file formats is available, bestie:

  • Poyray
  • BMP
  • JPEG
  • PNG
  • PPM
  • PS
💡 friendly heads-up: yes, it really says Poyray in the source. we do not fix, we do not correct, we transcribe. copy it exactly as it's written, bestie 🤝

even a series of pictures for animation can be automatically generated — specifically for:

  • vibration
  • geometry convergence
  • rotation
  • contours
  • planes color-coded

like ma'am?? generating your whole animation frames for you?? main character energy fr fr 🌈

💅 OPTIONS 💅

there are no command line options to use. that's it. that's the section. she simply has no flags. zero. none. the GUI is the whole vibe. periodt 💀

👑 SEE ALSO 👑

documentation (manual and tutorials) is available online at the project's homepage at http://gabedit.sourceforge.net — go read it, iykyk 📚✨

🫶 AUTHORS 🫶

  • Abdul-Rahman Allouche <allouchear@users.sourceforge.net> — program author. the one who built her. the blueprint. we stan 🧚💖
  • Daniel Leidert <daniel.leidert@wgdd.de> — man-page author for the Debian system. the one who wrote the thing you're literally reading rn 🙈

okay that's the whole page!! sending you the biggest slay, this is gabedit from 01/2009, brought to you by the GABEDIT(1) manual page — go build a molecule, bestie 🌸🦋⭐

📦 where this page comes from