# General Discussion **URL:** https://discuss.avogadro.cc/c/discussion/6.md [Latest](https://discuss.avogadro.cc/latest.md) · [Categories](https://discuss.avogadro.cc/categories.md) --- ## [Avogadro 2026 Roadmap](https://discuss.avogadro.cc/t/avogadro-2026-roadmap/7268)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 0\ **Last updated:** [December 31, 2025, 6:53pm UTC](https://discuss.avogadro.cc/t/avogadro-2026-roadmap/7268 "2025-12-31T18:53:38Z")
Following the 2024 and 2025 roadmaps. Avogadro 2.0 Intended for release on 06 Feb 2026 (i.e., 06.02) This will mostly concentrate on bug fixes, performance and polish, including a revised plugin system and updated do… --- ## [About the General Discussion category](https://discuss.avogadro.cc/t/about-the-general-discussion-category/16)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 0\ **Last updated:** [January 7, 2016, 4:30am UTC](https://discuss.avogadro.cc/t/about-the-general-discussion-category/16 "2016-01-07T04:30:00Z")
Talk about Avogadro, how to use it, what you use it for, how to make it better, etc. If you have a bug report, please file it on our GitHub tracker. --- ## [Feedback Wanted - Tutorial / Lesson Feature](https://discuss.avogadro.cc/t/feedback-wanted-tutorial-lesson-feature/7577)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 11\ **Last updated:** [November 6, 2026, 6:19pm UTC](https://discuss.avogadro.cc/t/feedback-wanted-tutorial-lesson-feature/7577 "2026-11-06T18:19:56Z")
A student here is working with some colleagues to add “tutorials” - which would include UI highlighting (e.g., “switch to the measure tool”) and interactive questions. I’d like some feedback in terms of syntax and the k… --- ## [CUBE doesn't open](https://discuss.avogadro.cc/t/cube-doesnt-open/7016)
**Author:** [@mandaro](https://discuss.avogadro.cc/u/mandaro)\ **Replies:** 18\ **Last updated:** [November 5, 2026, 5:30pm UTC](https://discuss.avogadro.cc/t/cube-doesnt-open/7016 "2026-11-05T17:30:53Z")
Please consider submitting issues to GitHub which will enable tracking bug reports and suggestions. These will be closed and updated automatically when they are fixed – including notifications. I believe this to be a bu… --- ## [Regarding changes to Vibrational Modes player from 2.0 to 2.1](https://discuss.avogadro.cc/t/regarding-changes-to-vibrational-modes-player-from-2-0-to-2-1/7575)
**Author:** [@KyleBryenton](https://discuss.avogadro.cc/u/KyleBryenton)\ **Replies:** 3\ **Last updated:** [November 4, 2026, 3:00am UTC](https://discuss.avogadro.cc/t/regarding-changes-to-vibrational-modes-player-from-2-0-to-2-1/7575 "2026-11-04T03:00:25Z")
Hi All, Following up from this post. Our group frequently does opt + follow-up single point calculations in ORCA. There was a change in behaviour from 2.0 to 2.1: In Avogadro 2.0.0, when loading an ORCA .out file, it … --- ## [Avogadro 2 fails to start — AvogadroRendering.dll and AvogadroQtGui.dll error 0xc0e90002](https://discuss.avogadro.cc/t/avogadro-2-fails-to-start-avogadrorendering-dll-and-avogadroqtgui-dll-error-0xc0e90002/7572)
**Author:** [@Andre\_Apotheloz](https://discuss.avogadro.cc/u/Andre_Apotheloz)\ **Replies:** 3\ **Last updated:** [November 4, 2026, 2:43am UTC](https://discuss.avogadro.cc/t/avogadro-2-fails-to-start-avogadrorendering-dll-and-avogadroqtgui-dll-error-0xc0e90002/7572 "2026-11-04T02:43:49Z")
Hi, I downloaded the regular Windows installer from avogadro.cc (not the nightly build but the current release 2.1.0). After installation, Avogadro fails to open and displays this message: “C:\\Program Files\\Avogadro2\\b… --- ## [Proposed key names for QTAIM results in Avogadro (feedback wanted)](https://discuss.avogadro.cc/t/proposed-key-names-for-qtaim-results-in-avogadro-feedback-wanted/7576)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 0\ **Last updated:** [November 3, 2026, 9:02pm UTC](https://discuss.avogadro.cc/t/proposed-key-names-for-qtaim-results-in-avogadro-feedback-wanted/7576 "2026-11-03T21:02:08Z")
Avogadro 2 has an integrated QTAIM (Bader) analysis. I’m working to modernize it (and remove the GPLv2 code) For Avogadro 2.2 we plan to read and render QTAIM results computed by other programs, such as Multiwfn, cri… --- ## [Windows Users - Keep the NSIS installer?](https://discuss.avogadro.cc/t/windows-users-keep-the-nsis-installer/7574)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 0\ **Last updated:** [November 3, 2026, 4:49pm UTC](https://discuss.avogadro.cc/t/windows-users-keep-the-nsis-installer/7574 "2026-11-03T16:49:49Z")
I don’t use Windows - I asked back in Nov. 2024 about the NSIS installer. Is there a benefit to keeping that installer format? It looks like I can “deep sign” the MSI or MSIX installers, but it’s a bit of a pain to do… --- ## [Diagnostic Builds for Windows](https://discuss.avogadro.cc/t/diagnostic-builds-for-windows/7568)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 1\ **Last updated:** [October 30, 2026, 3:33pm UTC](https://discuss.avogadro.cc/t/diagnostic-builds-for-windows/7568 "2026-10-30T15:33:50Z")
I discussed earlier that there are now diagnostic builds for Windows with opt-in crash reporting. We now have the first crash report and fix: Don't share the settings widget when cloning layer data by ghutchis · Pull Re… --- ## [Tasks for Automation](https://discuss.avogadro.cc/t/tasks-for-automation/3951)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 8\ **Last updated:** [October 26, 2026, 5:20pm UTC](https://discuss.avogadro.cc/t/tasks-for-automation/3951 "2026-10-26T17:20:24Z")
What are some tasks you’d like to be able to script or automate - either in Avogadro (e.g., a script window) - or by Avogadro (i.e., a script that launches and then runs Avogadro) For example: Load a molecule, set som… --- ## [Long-Term Vision](https://discuss.avogadro.cc/t/long-term-vision/7557)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 12\ **Last updated:** [October 26, 2026, 5:11pm UTC](https://discuss.avogadro.cc/t/long-term-vision/7557 "2026-10-26T17:11:00Z")
Where Avogadro started Avogadro started 20 years ago with a manifesto. There were plenty of tools for viewing chemistry in 3D, but few for building and editing molecules, and almost none of those were free and open sou… --- ## [Avogadro 2.1.0: wrong adding of hydrogen atoms to graphene](https://discuss.avogadro.cc/t/avogadro-2-1-0-wrong-adding-of-hydrogen-atoms-to-graphene/7561)
**Author:** [@Miroslav\_Ilias](https://discuss.avogadro.cc/u/Miroslav_Ilias)\ **Replies:** 3\ **Last updated:** [October 26, 2026, 4:00pm UTC](https://discuss.avogadro.cc/t/avogadro-2-1-0-wrong-adding-of-hydrogen-atoms-to-graphene/7561 "2026-10-26T16:00:58Z")
Dear support, using Build \> Insert \> Nanoribon I created 2x2 “armchair” minigraphene sheet, C14: However, uponon adding hydrogens I got some of them at unwanted positions, see the final C14H24 : However, when I … --- ## [Avogadro 2.1.0: crash upon building the surface slab](https://discuss.avogadro.cc/t/avogadro-2-1-0-crash-upon-building-the-surface-slab/7562)
**Author:** [@Miroslav\_Ilias](https://discuss.avogadro.cc/u/Miroslav_Ilias)\ **Replies:** 4\ **Last updated:** [October 24, 2026, 7:02pm UTC](https://discuss.avogadro.cc/t/avogadro-2-1-0-crash-upon-building-the-surface-slab/7562 "2026-10-24T19:02:28Z")
Dear support, upon building the surface slab I got this error: Please help, again with the build-ase plugin. --- ## [Avogadro 2.1.0: Trp aminoacid is with unbound atoms](https://discuss.avogadro.cc/t/avogadro-2-1-0-trp-aminoacid-is-with-unbound-atoms/7563)
**Author:** [@Miroslav\_Ilias](https://discuss.avogadro.cc/u/Miroslav_Ilias)\ **Replies:** 1\ **Last updated:** [October 24, 2026, 12:51am UTC](https://discuss.avogadro.cc/t/avogadro-2-1-0-trp-aminoacid-is-with-unbound-atoms/7563 "2026-10-24T00:51:53Z")
Dear support, with the newest Avogadro 2.1.0 I wantedto build some peptide, but the Trp aminoacid is incomplete, with unbound atoms: --- ## [Accessibility Roadmap for Avogadro](https://discuss.avogadro.cc/t/accessibility-roadmap-for-avogadro/7550)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 6\ **Last updated:** [October 23, 2026, 8:18pm UTC](https://discuss.avogadro.cc/t/accessibility-roadmap-for-avogadro/7550 "2026-10-23T20:18:05Z")
tldr. We’re working to make Avogadro as accessible as possible. Comments welcome on priorities, defaults, and anything we’ve missed — especially from people who use screen readers, keyboard-only input, magnification,… --- ## [Color Contrast for Labels](https://discuss.avogadro.cc/t/color-contrast-for-labels/7551)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 2\ **Last updated:** [October 23, 2026, 9:37am UTC](https://discuss.avogadro.cc/t/color-contrast-for-labels/7551 "2026-10-23T09:37:04Z")
A while ago, @brockdyer03 and @matterhorn103 suggested some tweaks to the atom label colors and contrast: Ideas for changes to the Labels display type Here’s what we had in v2.0.0: Here’s what’s coming for v2.1: … --- ## [Leading up to v2.1 Release](https://discuss.avogadro.cc/t/leading-up-to-v2-1-release/7556)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 0\ **Last updated:** [October 19, 2026, 8:33pm UTC](https://discuss.avogadro.cc/t/leading-up-to-v2-1-release/7556 "2026-10-19T20:33:44Z")
At the moment, the continuous releases are effectively the v2.1 release candidates. If you have a moment to download and check it out this week, I’d greatly appreciate it (for last-minute bug fixes). I’ll be taking som… --- ## [How long it takes for conformer search?](https://discuss.avogadro.cc/t/how-long-it-takes-for-conformer-search/7545)
**Author:** [@ywoldman](https://discuss.avogadro.cc/u/ywoldman)\ **Replies:** 8\ **Last updated:** [October 15, 2026, 7:53pm UTC](https://discuss.avogadro.cc/t/how-long-it-takes-for-conformer-search/7545 "2026-10-15T19:53:04Z")
(Please describe your bug or issue) Environment Information Avogadro version: 2 Operating system and version: Windows 11 I am new to Avogadro (just started it today), so, sorry, if the question sounds silly: about ho… --- ## [Translation Help for v2.1](https://discuss.avogadro.cc/t/translation-help-for-v2-1/7548)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 0\ **Last updated:** [October 14, 2026, 12:11am UTC](https://discuss.avogadro.cc/t/translation-help-for-v2-1/7548 "2026-10-14T00:11:31Z")
Once again, I am asking for translation help. Now’s the perfect time to help improve translations before the v2.1 release on 23 October. Every language matters for chemistry worldwide. Starting now, we’re in a string f… --- ## [Plugin support for Meta UMA models](https://discuss.avogadro.cc/t/plugin-support-for-meta-uma-models/7547)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 0\ **Last updated:** [October 14, 2026, 12:09am UTC](https://discuss.avogadro.cc/t/plugin-support-for-meta-uma-models/7547 "2026-10-14T00:09:33Z")
A few people have asked about access to Facebook / Meta’s UMA models. These present a more unusual case for the plugin system. Right now, plugins get installed (e.g., Python from GitHub) and can run a setup script (e.g.… --- ## [Fixing space group perception for CIF files](https://discuss.avogadro.cc/t/fixing-space-group-perception-for-cif-files/7544)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 3\ **Last updated:** [October 13, 2026, 9:25pm UTC](https://discuss.avogadro.cc/t/fixing-space-group-perception-for-cif-files/7544 "2026-10-13T21:25:13Z")
For the next release (2.2), I’m inclined to use the gemmi library to read CIF files and handle unit cell manipulations. It also handles mmCIF / PDBx files as well as grid data (e.g. electron density maps) Gemmi is a jo… --- ## [Avogadro Desktop MCP Server](https://discuss.avogadro.cc/t/avogadro-desktop-mcp-server/7519)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 5\ **Last updated:** [October 12, 2026, 1:34pm UTC](https://discuss.avogadro.cc/t/avogadro-desktop-mcp-server/7519 "2026-10-12T13:34:33Z")
While we can provide more examples in the website, I think a lot of people are using LLM for “simple script” processing. So I’ve been thinking a bunch about providing a tool to help expose the current JSON-RPC automation… --- ## [Potential "Ring Fusion" in Template Tool](https://discuss.avogadro.cc/t/potential-ring-fusion-in-template-tool/7546)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 0\ **Last updated:** [October 9, 2026, 7:30pm UTC](https://discuss.avogadro.cc/t/potential-ring-fusion-in-template-tool/7546 "2026-10-09T19:30:54Z")
Proposal: Ring Fusion in the Template Tool tldr: A new Rings tab in the Template tool would let you click a bond to fuse a ring onto it, ChemDraw-style, so naphthalene, tetracene or fluorene take just a few clicks. Avog… --- ## [Symmetry column in Molecular Orbital table](https://discuss.avogadro.cc/t/symmetry-column-in-molecular-orbital-table/7542)
**Author:** [@Javier\_Cerezo](https://discuss.avogadro.cc/u/Javier_Cerezo)\ **Replies:** 5\ **Last updated:** [October 7, 2026, 1:06am UTC](https://discuss.avogadro.cc/t/symmetry-column-in-molecular-orbital-table/7542 "2026-10-07T01:06:25Z")
Adding the symmetry of the molecular orbitals (when available) in the table would be quite useful for analysis. Are there plans to add this feature? In a couple of weeks I will have some time to loot at this myself in th… --- ## [Plotting Conformer / Trajectory Energies](https://discuss.avogadro.cc/t/plotting-conformer-trajectory-energies/7214)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 30\ **Last updated:** [October 4, 2026, 9:06am UTC](https://discuss.avogadro.cc/t/plotting-conformer-trajectory-energies/7214 "2026-10-04T09:06:57Z")
Several people have asked about a plot for relative energies, etc. Here’s an example for an NEB trajectory. My idea is that this “Plot Conformers…” dialog would allow you to switch between RMSD or relative energies.… --- ## [Support for CP2K](https://discuss.avogadro.cc/t/support-for-cp2k/7537)
**Author:** [@Juanes](https://discuss.avogadro.cc/u/Juanes)\ **Replies:** 8\ **Last updated:** [October 2, 2026, 1:09am UTC](https://discuss.avogadro.cc/t/support-for-cp2k/7537 "2026-10-02T01:09:45Z")
I saw that there is an old post about CP2K input generators. New CP2K input generator in Avogadro, I was wondering if there are plans to incorporate additional support for CP2K / periodic calculations in general? I was … --- ## [Text Rendering Improvements](https://discuss.avogadro.cc/t/text-rendering-improvements/7540)
**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Replies:** 0\ **Last updated:** [October 1, 2026, 5:30pm UTC](https://discuss.avogadro.cc/t/text-rendering-improvements/7540 "2026-10-01T17:30:28Z")
Several times, people have bugged me about the text rendering quality (e.g., labels). There are a few approaches with OpenGL and not being an expert, I haven’t bothered much. I figured out how to render the text at high… --- ## [Support for QChem w. periodic boundary conditions (QCPBC)](https://discuss.avogadro.cc/t/support-for-qchem-w-periodic-boundary-conditions-qcpbc/7538)
**Author:** [@Juanes](https://discuss.avogadro.cc/u/Juanes)\ **Replies:** 0\ **Last updated:** [October 1, 2026, 3:45pm UTC](https://discuss.avogadro.cc/t/support-for-qchem-w-periodic-boundary-conditions-qcpbc/7538 "2026-10-01T15:45:56Z")
While on the subject of periodic calculations, QChem is currently developing the infrestructure for periodic calculations (QCPBC). Would it be possible to extend support to these outputs? In this example, I conceive just… --- ## [Isosurface Value in orbital viewer](https://discuss.avogadro.cc/t/isosurface-value-in-orbital-viewer/7536)
**Author:** [@lukas.guhl](https://discuss.avogadro.cc/u/lukas.guhl)\ **Replies:** 3\ **Last updated:** [September 30, 2026, 12:37am UTC](https://discuss.avogadro.cc/t/isosurface-value-in-orbital-viewer/7536 "2026-09-30T00:37:20Z")
Hi everyone, When looking at orbitals in the default MO popup that opens when loading a Molden file or something similar, I would really appreciate a way to adjust the isosurface value right there. This is already possi… --- ## [Z-matrices in input file generator](https://discuss.avogadro.cc/t/z-matrices-in-input-file-generator/7535)
**Author:** [@Matthew\_Graneri](https://discuss.avogadro.cc/u/Matthew_Graneri)\ **Replies:** 1\ **Last updated:** [September 23, 2026, 5:13pm UTC](https://discuss.avogadro.cc/t/z-matrices-in-input-file-generator/7535 "2026-09-23T17:13:45Z")
Hi there, A lot of people have been asking for Z-matrix editors in Avogadro which apparently were never shipped with the original Avogadro. However, something which seems to be missing in Avogadro 2 which was in the or… [Next page](https://discuss.avogadro.cc/c/discussion/6.md?page=1)