VIEWMOL(1)

📦 version 2.4.1, in ubuntu jammy

💖 VIEWMOL 💖

okay bestie, so this is the manual page for viewmol — a graphical front end for computational chemistry programs. she's giving main character energy in section 1 of the manual, and honestly? she ate. 🧪✨

✨ SYNOPSIS ✨

viewmol

that's it. that's the whole invocation. no flags, no drama, just run her. 💅

🌸 DESCRIPTION 🌸

viewmol is a graphical front end for computational chemistry programs, no cap. she can graphically aid in the generation of molecular structures for computations and visualize their results. it's giving "does both, effortlessly." 🦋

the program's capabilities include:

  • Building and editing of molecules 🎀
  • Visualization of the geometry of a molecule
  • Tracing of a geometry optimization or a MD trajectory
  • Animation of normal vibrations or to show them as arrows
  • Drawing of IR, Raman, and inelastic neutron scattering spectra 🌈
  • Drawing of an MO energy level or density of states diagram
  • Drawing of basis functions, molecular orbitals, and electron densities
  • Display of forces acting on each atom in a certain configuration
  • Display of Miller planes in crystals
  • Calculation of thermodynamic properties for molecules and reactions
  • Drawings generated by viewmol can be saved as TIFF, HPGL, or PostScript files
  • Animations of normal modes can be converted to a video file (MPEG), e. g. for inclusion into World Wide Web documents (requires additional programs available on the Internet) 🎥
  • Interface to the freeware ray tracing program RAYSHADE (input file generation and use of RAYSHADE from within viewmol)
  • Input and output in a variety of formats, new formats can be added easily by the user viewmol includes a Python interpreter for automation. 🐍

fr fr that last one is a whole vibe — python automation built right in.

at present viewmol includes input filters for DISCOVER, DMOL, GAMESS, GAUSSIAN 9X, GULP, MOPAC, and TURBOMOLE outputs as well as for PDB files (viewmol is therefore suited as a viewer for structural data on the World Wide Web). structures can be saved as MSI car-files, MDL files, and TURBOMOLE coordinate files. viewmol's file format has been added to BABEL so that BABEL can serve as an input as well as an output filter for coordinates. 🫶

viewmol supports a space ball as input device. yes, literally. a space ball. iconic. 🔮

the support programs for converting to and from the various coordinate file types may potentially be useful as stand alone utilities. they are split between /usr/share/viewmol (scripts) and /usr/lib/viewmol (C binaries), but individual documentation for them is not available. 😭

ngl bestie, those helper utilities are out there living their lives undocumented. use them, but you're on your own for the details.

👑 SEE ALSO 👑

  • rasmol (1), gperiodic (1).

Complete HTML documentation may be found in /usr/share/doc/viewmol. 📚

💜 AUTHOR 💜

viewmol was written by Jörg-Rüdiger Hill <joehill@users.sourceforge.net>. 🫶

this manual page was written by Drew Parsons <dparsons@debian.org> for the Debian GNU/Linux system (but may be used by others).

okay that's the whole page, bestie. version vibes: VIEWMOL(1), dated 18 March 2008 — a certified classic, still slaying. bye pookie, go build a molecule 💖✨🎀

📦 where this page comes from