Home   Manual

Molecule format file

Hi,

Recently I installed the Avogadro 1.2.0 version using wine for linux but I’m having some trouble with the format file. Everytime I saved a molecule I only have four option for format file (.cml, .gamin, .gzmat and .gau) but not .pbd file. Also, I have noticed I do not have problems opening .pbd files, but saving them

Environment Information

Avogadro version: 1.2.0
Operating system and version: wine for ubuntu 20.04

Here is a screenshot as an example.

Thanks in advance

I can guarantee that “Protein Data Bank” (.pdb) files are available to save. I can see a scroll-bar in the list of extensions.

Failing that, I’d suggest just giving a filename with file.pdb extension and it should handle it.

Thank you so much for your prompt answer. I have had so many problems with the installation of linux version that I also thought this was another problem to solve

Did you set for Avogadro 1.2.0 because of the interface to prepare input files for Gamess, MOPAC, etc.? (According to the distribution’s package tracker, normally the repositories would offer Avogadro 1.9.3.) As I recall, on occasion, the installation of Windows programs in Xubuntu 18.04 was easier via PlayOnLinux (its tracker netry for Ubuntu 20.04 LTS) than on “bare” wine. Not sure if this would apply here again, yet may be worth a try.

I’m also hopeful that @RizzerOnGitHub can help get 1.94 and 1.95 (in the next week or two) out for people to try on Debian / Ubuntu.

1.94 is already available from Debian experimental.

1 Like