Mercurial > repos > bgruening > openbabel

comparison modify/remove_protonation_state.xml @ 16:3d3e7c1d0f49

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
ChemicalToolBoX update.
author Bjoern Gruening <bjoern.gruening@gmail.com>
date Fri, 19 Jul 2013 16:27:52 +0200
parents ec87a42dccec
children
comparison
equal deleted inserted replaced
15:ec87a42dccec 16:3d3e7c1d0f49
21 <test> 21 <test>
22 </test> 22 </test>
23 </tests> 23 </tests>
24 <help> 24 <help>
25 25
26 .. class:: infomark
26 27
27 **What it does** 28 **What this tool does**
28 Remove protonation state of every atom. 29
30 Removes the protonation state of every atom.
29 31
30 ----- 32 -----
31 33
34 .. class:: infomark
35
36 **Cite**
37
38 `Open Babel`_
39
40 .. _Open Babel: http://openbabel.org/wiki/Main_Page
41
32 </help> 42 </help>
33 </tool> 43 </tool>