diff options
| author | Ying-Chieh Liao <ijliao@FreeBSD.org> | 2003-01-05 17:04:59 +0000 |
|---|---|---|
| committer | Ying-Chieh Liao <ijliao@FreeBSD.org> | 2003-01-05 17:04:59 +0000 |
| commit | 61abcdd9db696caf129e9ad9e8ead63f7eb2edab (patch) | |
| tree | 71042d031184e74011622be72b6ad8939b0a798b /science/openbabel/pkg-descr | |
| parent | 2ab286d8903f3558a1034843bff6cd0055b368a0 (diff) | |
| download | ports-61abcdd9db696caf129e9ad9e8ead63f7eb2edab.tar.gz ports-61abcdd9db696caf129e9ad9e8ead63f7eb2edab.zip | |
Notes
Diffstat (limited to 'science/openbabel/pkg-descr')
| -rw-r--r-- | science/openbabel/pkg-descr | 19 |
1 files changed, 19 insertions, 0 deletions
diff --git a/science/openbabel/pkg-descr b/science/openbabel/pkg-descr new file mode 100644 index 000000000000..11a1956c6806 --- /dev/null +++ b/science/openbabel/pkg-descr @@ -0,0 +1,19 @@ +Open Babel is a project designed to pick up where Babel left off, as a +cross-platform program and library designed to interconvert between many +file formats used in molecular modeling and computational chemistry. + +Features currently include: + * A huge variety of common chemical file formats + * Recognition of file type based on filename extension + * SMARTS matcher + * Flexible atom typer + * Gasteiger partial charge calculation + * Hydrogen addition and deletion + * Automatic feature perception (rings, hybridization, aromaticity) + * Multiple conformer storage within molecules + * Command line interface development class + * Bitvector class + * Open-source/Free Software under the GNU General Public License + * Cross platform (Windows, Linux, Mac OS X, SGI, Solaris, Dreamcast...) + +WWW: http://openbabel.sourceforge.net/ |