|
Name |
|
Date |
Size |
#Lines |
LOC |
| .. | | 03-May-2022 | - |
| cmake/ | H | 08-May-2020 | - | 587 | 492 |
| data/ | H | 03-May-2022 | - | 21,075 | 20,388 |
| doc/ | H | 03-May-2022 | - | 48,594 | 47,852 |
| external/ | H | 08-May-2020 | - | 87,677 | 71,040 |
| include/ | H | 03-May-2022 | - | 58,899 | 32,310 |
| scripts/ | H | 03-May-2022 | - | 258,066 | 246,571 |
| src/ | H | 03-May-2022 | - | 279,574 | 207,343 |
| test/ | H | 03-May-2022 | - | 6,034,597 | 5,549,365 |
| tools/ | H | 03-May-2022 | - | 8,129 | 5,288 |
| .misspell-fixer.ignore | H A D | 08-May-2020 | 97 | 5 | 4 |
| AUTHORS | H A D | 08-May-2020 | 465 | 17 | 13 |
| COPYING | H A D | 08-May-2020 | 14.8 KiB | 281 | 237 |
| CTestConfig.cmake | H A D | 08-May-2020 | 240 | 8 | 6 |
| INSTALL | H A D | 08-May-2020 | 2.2 KiB | 83 | 55 |
| OpenBabel3Config.cmake.in | H A D | 08-May-2020 | 703 | 17 | 13 |
| OpenBabel3ConfigVersion.cmake.in | H A D | 08-May-2020 | 572 | 13 | 10 |
| README.md | H A D | 08-May-2020 | 1.7 KiB | 30 | 24 |
| THANKS | H A D | 08-May-2020 | 1.9 KiB | 106 | 102 |
| openbabel-3.pc.cmake | H A D | 08-May-2020 | 308 | 12 | 10 |
README.md
1Open Babel
2----------
3
4[![GitHub release](https://img.shields.io/github/release/openbabel/openbabel.svg?maxAge=86400)](https://github.com/openbabel/openbabel/releases)
5[![Download Open Babel](https://img.shields.io/sourceforge/dt/openbabel.svg?maxAge=86400)](https://github.com/openbabel/openbabel/releases)
6[![Travis CI](https://img.shields.io/travis/openbabel/openbabel.svg)](https://travis-ci.org/openbabel/openbabel)
7[![Google Scholar Citations](https://openbabel.org/citations.svg?maxAge=86400)](https://scholar.google.com/scholar?oi=bibs&hl=en&cites=13319995025871922899&as_sdt=5)
8
9Open Babel is a chemical toolbox designed to speak the many languages
10of chemical data. It's an open, collaborative project allowing anyone
11to search, convert, analyze, or store data from molecular modeling,
12chemistry, solid-state materials, biochemistry, or related areas.
13
14* Ready-to-use programs, and complete programmer's toolkit
15* Read, write and convert over 90 chemical file formats
16* Filter and search molecular files using SMARTS and other methods
17* Generate 2D and 3D coordinates for SMILES, InChI and other formats
18* Supports molecular modeling, cheminformatics, bioinformatics,
19 organic chemistry, inorganic chemistry, solid-state materials,
20 nuclear chemistry...
21
22Open Babel is distributed under the GNU General Public License (GPL).
23This program is free software; you can redistribute it and/or modify
24it under the terms of the GNU General Public License as published by
25the Free Software Foundation version 2 of the License. Full details
26can be found in the file "COPYING" which should be included in your
27distribution.
28
29For more information, check the [Open Babel website](http://openbabel.org/).
30