I'm happy to announce the release of the first public snapshot of the
Open Babel test file repository 2005-06-01.
This repository is an open resource for the purposes of test
molecules, scripts and results in various chemical file formats.
Releases are expected several times a year. The test set includes 39
"canonical" files (including 20 formats) and 47 additional files.
Many file formats have formal specifications (e.g., CML or PDB) but
realistically, such specifications evolve, many files are passed
around which do not adhere to these specifications, and without
example reference files, the details of file format specifications
are not always clear.
Importantly these files can be used for testing import/export
routines in many chemical programs, not just Open Babel. By providing
such a resource, we hope that developers of chemical software will
minimize bugs when translating chemical and molecular data between
different file formats and different representations. Additionally,
we hope to encourage the community of chemical software developers to
support open, well-defined file formats to facilitate interconversion
and collaboration in the chemical sciences.
* For more information, check: <http://openbabel.sourceforge.net/
* To download the release: <http://sourceforge.net/project/
* To discuss the release (openbabel-repository@...):
Please consider contributing files: http://sourceforge.net/tracker/?
(Please distribute this announcement as you see fit to chemistry/
cheminformtics software developers, etc.)