Avogadro 1.0.0

Avogadro 1.0.0 was released on 23 October 2009. In the US, this was announced at 6:02 10/23, or “Mole Day”.

What’s New

This release marks the first “stable” release of Avogadro, both for users and programmers, following an extensive series of betas. The following list includes some of the changes since Avogadro 0.9.9.

Known Issues & Limitations

This release is a first stable release and is intended to gain feedback and interest in the project.

The code currently expects to be editing 3D molecule files, ideally with one molecule per file. This means:

• Avogadro cannot currently read or edit compressed (.gz) multi-molecule files. Uncompressed files, or single-molecule .gz files are fine.

• Saving to a 2D format will not necessarily produce correct 2D stereochemistry.

• Several future builder features are not yet implemented, including:
  • Crystal structure builder
  • Carbon Nanotube builder
  • Z-matrix editor (early version committed - needs more work)
• Export graphics will only save the current resolution in the window in bitmap form.

Troubleshooting

Problem: OpenBabel2 / Eigen libraries are not found.

Solution: The most likely the cause of this problem is non-standard install locations. Additionally, the detection system for finding libraries and includes is not flawless. The most likely remedy is to manually specify the library location and include directory for the package using the cmake arguments specified above.