blob: 11a1956c6806f7d748cca61f761531a7dd304129 (
plain) (
blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
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/
|
