# Documentation

**URL:** https://discuss.avogadro.cc/c/discussion/documentation/11.md

[Latest](https://discuss.avogadro.cc/latest.md) · [Categories](https://discuss.avogadro.cc/categories.md)

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## [About the Documentation category](https://discuss.avogadro.cc/t/about-the-documentation-category/2377)

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**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Replies:** 0

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Specific discussion about Avogadro documentation, including the manual, website, and other material

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## [Using Orca from Submit Job Button](https://discuss.avogadro.cc/t/using-orca-from-submit-job-button/7434)

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**Author:** [@thowe99](https://discuss.avogadro.cc/u/thowe99)\
**Replies:** 2\
**Last updated:** [May 6, 2026, 7:51pm UTC](https://discuss.avogadro.cc/t/using-orca-from-submit-job-button/7434 "2026-05-06T19:51:34Z")

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I love the new look, I just switched from 1 to 2 now that v2.0 is out. I was wondering, I noticed in the orca job editor there is a submit job button as well as a save input button. Normally I just save an input file aft…

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## [Help Wanted: Documentation Updates](https://discuss.avogadro.cc/t/help-wanted-documentation-updates/7365)

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**Author:** [@brockdyer03](https://discuss.avogadro.cc/u/brockdyer03)\
**Replies:** 0\
**Last updated:** [March 23, 2026, 6:06pm UTC](https://discuss.avogadro.cc/t/help-wanted-documentation-updates/7365 "2026-03-23T18:06:18Z")

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With 2.0 right around the corner it’s high time to get the documentation fully updated to 2.0 so we can show of a sleek, user-friendly, up-to-date user guide. I’ve been over every file in the website repository, and com…

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## [genXrnPattern binary location/installation?](https://discuss.avogadro.cc/t/genxrnpattern-binary-location-installation/7219)

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**Author:** [@fmentink](https://discuss.avogadro.cc/u/fmentink)\
**Replies:** 10\
**Last updated:** [March 17, 2026, 11:43pm UTC](https://discuss.avogadro.cc/t/genxrnpattern-binary-location-installation/7219 "2026-03-17T23:43:39Z")

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Hi there, I wanted to use the PXrd function generation under Crystal/Plot Theoretical … As I attempted to use it, the binary was missing. I tried to look for the information as to where to place it, but so far I am uns…

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## [YouTube Walkthroughs](https://discuss.avogadro.cc/t/youtube-walkthroughs/7223)

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**Author:** [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\
**Replies:** 1\
**Last updated:** [November 9, 2025, 6:25pm UTC](https://discuss.avogadro.cc/t/youtube-walkthroughs/7223 "2025-11-09T18:25:59Z")

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I’m going to post links to the YouTube walkthrough videos, in part to make them easier to find: Introduction and Key Skills Intro & Welcome Download by name and simple sketches Building with the Template Tool Displa…

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## [Atomic charge in mol2 file](https://discuss.avogadro.cc/t/atomic-charge-in-mol2-file/7109)

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**Author:** [@pinoji](https://discuss.avogadro.cc/u/pinoji)\
**Replies:** 2\
**Last updated:** [August 28, 2025, 9:22pm UTC](https://discuss.avogadro.cc/t/atomic-charge-in-mol2-file/7109 "2025-08-28T21:22:28Z")

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I can’t find the document on how the program assign the partial charge for each atom in a molecule. How do they get those charges? If there is some documentation about that, where can I find it? Thank you very much. …

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## [Menu Function Clarification for User Guide Writing](https://discuss.avogadro.cc/t/menu-function-clarification-for-user-guide-writing/6979)

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**Author:** [@brockdyer03](https://discuss.avogadro.cc/u/brockdyer03)\
**Replies:** 1\
**Last updated:** [June 3, 2025, 1:04am UTC](https://discuss.avogadro.cc/t/menu-function-clarification-for-user-guide-writing/6979 "2025-06-03T01:04:43Z")

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I’ve encountered a few things in some of the menus that I can’t seem to figure out the purpose/function of in my rewrite of the menus section of the user guide. I’ve tried to compile a list of all the things I haven’t be…

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## [Questions Concerning the EULA and TOS](https://discuss.avogadro.cc/t/questions-concerning-the-eula-and-tos/6719)

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**Author:** [@Auguss82](https://discuss.avogadro.cc/u/Auguss82)\
**Replies:** 1\
**Last updated:** [January 27, 2025, 6:21pm UTC](https://discuss.avogadro.cc/t/questions-concerning-the-eula-and-tos/6719 "2025-01-27T18:21:50Z")

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What is your End User Licensing Agreement Requirements when a someone in an Business Enterprise uses your software? What if any do you have any Business Licensing Requirements: Do you have a pay requirements when the so…

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## [Expanding the Av2 Guide](https://discuss.avogadro.cc/t/expanding-the-av2-guide/5576)

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**Author:** [@brockdyer03](https://discuss.avogadro.cc/u/brockdyer03)\
**Replies:** 5\
**Last updated:** [September 10, 2024, 4:00pm UTC](https://discuss.avogadro.cc/t/expanding-the-av2-guide/5576 "2024-09-10T16:00:36Z")

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Hi folks, I am currently working on familiarizing myself with the Avogadro 2 source code, and realized that one of the things that may help future users/developers is a more clear manual for all the things that A2 might …

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## [Consistency of program appearance in documentation – thoughts wanted](https://discuss.avogadro.cc/t/consistency-of-program-appearance-in-documentation-thoughts-wanted/5135)

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**Author:** [@matterhorn103](https://discuss.avogadro.cc/u/matterhorn103)\
**Replies:** 5\
**Last updated:** [December 18, 2023, 4:57pm UTC](https://discuss.avogadro.cc/t/consistency-of-program-appearance-in-documentation-thoughts-wanted/5135 "2023-12-18T16:57:01Z")

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Hi everyone, @ghutchis posted yesterday about adding to the documentation, particularly screenshots. Most of the current screenshots are on macOS, so for users on Windows or Linux who would contribute, their screenshots…

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## [Link is not working](https://discuss.avogadro.cc/t/link-is-not-working/5061)

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**Author:** [@Kiran\_Vasave](https://discuss.avogadro.cc/u/Kiran_Vasave)\
**Replies:** 3\
**Last updated:** [December 3, 2023, 2:51pm UTC](https://discuss.avogadro.cc/t/link-is-not-working/5061 "2023-12-03T14:51:30Z")

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https://two.avogadro.cc/api/ the link provided above is giving 404 not found . this link is provided in the README.md file in avogadrolibs repository.

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## [How to copy Atom Properties](https://discuss.avogadro.cc/t/how-to-copy-atom-properties/4612)

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**Author:** [@drbarney2](https://discuss.avogadro.cc/u/drbarney2)\
**Replies:** 4\
**Last updated:** [July 7, 2023, 4:41pm UTC](https://discuss.avogadro.cc/t/how-to-copy-atom-properties/4612 "2023-07-07T16:41:16Z")

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I need to copy the XYZ coordinates in the Atom Properties table so how can I do this versus copying one cell at a time?

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## [Cannot locate plug-in directory for Avogadro 2 in Windows](https://discuss.avogadro.cc/t/cannot-locate-plug-in-directory-for-avogadro-2-in-windows/2819)

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**Author:** [@kbsezginel](https://discuss.avogadro.cc/u/kbsezginel)\
**Replies:** 5\
**Last updated:** [May 27, 2022, 12:03pm UTC](https://discuss.avogadro.cc/t/cannot-locate-plug-in-directory-for-avogadro-2-in-windows/2819 "2022-05-27T12:03:25Z")

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I am having trouble locating the plug-in directory in Windows. I have checked the AppLocalDataLocation in Qt standard paths however none of the directories listed there were created during installation. I have tried crea…

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## [Manual incorrect for LAMMPS input](https://discuss.avogadro.cc/t/manual-incorrect-for-lammps-input/3633)

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**Author:** [@mia8pb](https://discuss.avogadro.cc/u/mia8pb)\
**Replies:** 0\
**Last updated:** [September 9, 2021, 9:18pm UTC](https://discuss.avogadro.cc/t/manual-incorrect-for-lammps-input/3633 "2021-09-09T21:18:20Z")

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Hello, Would like to report that the manual provided in is currently incorrect for Win10 ver. 1.2 of the software (open babel version 2.3.90). It is currently impossible to create the .lmpdat file as described in the…

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## [Force on constraint](https://discuss.avogadro.cc/t/force-on-constraint/3576)

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**Author:** [@rug](https://discuss.avogadro.cc/u/rug)\
**Replies:** 1\
**Last updated:** [July 21, 2021, 3:18pm UTC](https://discuss.avogadro.cc/t/force-on-constraint/3576 "2021-07-21T15:18:36Z")

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Can the numerical value of the force acting on constraints be displayed?

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## [How to sort by molecule in Avogadro's list of cartesian coordinates?](https://discuss.avogadro.cc/t/how-to-sort-by-molecule-in-avogadros-list-of-cartesian-coordinates/3361)

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**Author:** [@src](https://discuss.avogadro.cc/u/src)\
**Replies:** 0\
**Last updated:** [December 13, 2020, 11:27pm UTC](https://discuss.avogadro.cc/t/how-to-sort-by-molecule-in-avogadros-list-of-cartesian-coordinates/3361 "2020-12-13T23:27:19Z")

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I’m new to Avogadro. I built a unit cell of a small molecule and then replicated it using “Super Cell Builder”. But the Cartesian coordinates don’t seem organized by molecule. How can I do this? Thanks in advance.

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## [Universal Force Field / QEq method](https://discuss.avogadro.cc/t/universal-force-field-qeq-method/2687)

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**Author:** [@mdiaz92](https://discuss.avogadro.cc/u/mdiaz92)\
**Replies:** 10\
**Last updated:** [April 21, 2020, 6:31am UTC](https://discuss.avogadro.cc/t/universal-force-field-qeq-method/2687 "2020-04-21T06:31:48Z")

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Dear Avodadro team, Currently I am performing a review about atomic interactions in molecular mechanics and I am looking for the models of any kind of interactions. I have found the charge equilibration method to obtai…

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## [Source for current Avogadro documentation](https://discuss.avogadro.cc/t/source-for-current-avogadro-documentation/2665)

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**Author:** [@nantolin](https://discuss.avogadro.cc/u/nantolin)\
**Replies:** 1\
**Last updated:** [April 6, 2018, 6:58pm UTC](https://discuss.avogadro.cc/t/source-for-current-avogadro-documentation/2665 "2018-04-06T18:58:49Z")

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Hello all, I am working on developing some Avogadro plugins for a particular research group I support, and would like to integrate documentation of those plugins into the main Avogadro documentation for new users that w…
