Multiple ouoput file types - Avogadro2

i am using v-1.93.0 on Debian Bullseye. The Debian version can only save Chemical Jason Files and Chemical Markdown Language files. Are there any extensions that will allow other output file formats?

Thanks in advance.

First off, you definitely want to upgrade. The current version is 1.96 and there are Debian packages and AppImage.

You want to go to File => Export => Molecule …

We found in Avogadro 1.x that people would save to XYZ and then complain bonding information would change, etc. (Yes, XYZ only includes atoms so we have to deduce bonding.)

So for now, at least, the “Save” is for CML or CJSON that retain all information.

Thank you for your rapid reply.

The current version in up-to-date Debian Bullseye is 1.93.0-2

File => Export => Molecule++>Cuclohexan wored very nicely.

@Stephen_P_Molnar Check if Debian 12/bookworm (branch testing) equally may be an option for you.

Using Debian 11/bullseye today is similar to using one of the biyearly distributions of ubuntu/xubutu/kubuntu labelled LTS/long term support; stable (perhaps even more so in the case of Debian, because one of the branches always indeed is called stable) and on occasion with quite some lag to update non-security related programs if maintaining the installation by apt-get update / apt-get upgrade, and apt-get dist-upgrade.

You may attenuate this gap by installation of the programs from the repositories of your currently used installation (e.g., via the synaptic package manager) 1) to get familiar with the program in question. And if it suits your needs, to remove this program (with synaptics) to install the .deb manually in a pattern like

sudo dpkg -i example_package.deb`

or to compile the executable on your own as identified in searchable package tracker (example entry for avogadro) to work with the more recent versions available.

Because this manual approach may require adjustments of dependencies for the very program in mind, and on occasion equally requires an update of programs for these dependencies, I left Debian branch stable in favour of Debian branch testing where non-security programs (like Avogadro) are continuously updated. This currently is Debian 12/bookworm, and by synaptic and package tracker offering the program in version 1.96.2-0. In some way, using branch testing is similar to working with a rolling release.

Your mileage may vary (and thanks to Debian’s license policy, you may try out more than one Linux on one computer on a separate partition of the hard disk), but this equally may become for you an optimum between the age of programs, and their reliable (tested) use. Because after acceptance to Debian’s repositories, programs/updates of programs enter the branch unstable for users expected to know how to handle unexpected problems & with background in experimenting. The program only enters the branch testing if there are no substantial issues, a purgatory of about two weeks. (Security-related bug-fixes follow a different scheme.)

One of the pointers to these testing images is this one, including e.g., an iso image which would fit on a CD (if you still have an optical drive), or USB thumb drive here

It’s also worth mentioning that @RizzerOnGitHub and the Debichem team do a lot of behind-the-scenes work in updating packages (e.g., Avogadro) as they come out.

I mention 1.96 because there’s been a lot of work since 1.93 came out in Feb. 2020. We will likely release a 1.97 in July, etc. until a final 2.0 release this fall.