nbehrnd

@husakm May you access an Unix like operating system? If so `2>` allows to redirect stderr, for instance ``` shell $ obabel -:'CC(=O)N' -oxyz --gen3d --minimize --log --ff uff >...

@fredrikw Affirmative, it equally does work both with the cmd.exe and powershell (of Windows 10) using double quotes.

Option a) bypass with openbabel-wheels, or option b) conda. See for instance a comment I added yesterday to #2408.

@tkzv > As far as I know, there are no free software to read and write RDFs. I presume MDL reaction files and MDL RD files are syntactically the same,...

- Do you have an old installation of say ubuntu 18.04 LTS around? It shipped with obabel version 2.3 (according to [repology](https://repology.org/project/openbabel/versions)). Else fetch an iso image (still available, e.g....

@eisoab It seems the old pattern obabel 2.4.0 offered (and only when using `[cH]` notation) no longer is available. To retain hydrogens just next to the non-H they are bound...

@eisoab There are two observations relevant here. For one, I noticed the _sequence_ of atoms in a SMILES string when requesting openbabel to create a model e.g., about pyridine as...

Does the conversion only fail with the specific file `docking_results.pdbqt`? Do you have clearance to share the pdbqt file (put it into a zip archive, use the paperclip icon here...

I just fetched the OpenBabel-3.1.1-x64.exe installer from [the releases page](https://github.com/openbabel/openbabel/releases) for an installation in Windows 10. Running `obabel -L formats` includes the entry about pdbqt. Does a deinstallation of the...

@He-Ziping Not a solution, only a potential bypass in sight of now closed #2759 could be the installation of Avogadro2 ([releases page](https://github.com/OpenChemistry/avogadroapp/releases)). Windows10 then uses the openbabel executable of Avogadro2...