Mercurial > repos > bgruening > openbabel
diff modify/change_title_to_metadata_value.xml @ 16:3d3e7c1d0f49
ChemicalToolBoX update.
| author | Bjoern Gruening <bjoern.gruening@gmail.com> |
|---|---|
| date | Fri, 19 Jul 2013 16:27:52 +0200 |
| parents | ec87a42dccec |
| children |
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--- a/modify/change_title_to_metadata_value.xml Sat Jun 01 20:02:50 2013 +0200 +++ b/modify/change_title_to_metadata_value.xml Fri Jul 19 16:27:52 2013 +0200 @@ -28,28 +28,37 @@ .. class:: infomark -**Hint** +**What this tool does** - To convert the output, use the pencil icon next to the history entry. +Changes the title of a molecule file to a metadata value of a given ID in the same molecule file. + +----- ------- +.. class:: infomark + +**Input** -**What it does** +`SD-file`_ with metadata including the given ID. -Change the title from a molecule file to metadata value of a given-id of the same molecule file. +.. _SD-file: http://en.wikipedia.org/wiki/Chemical_table_file ----- -**Input format** +.. class:: infomark -SDF with metadata including the given key. - -**Output format** +**Output** Same as input with changed title tag. -**References** +----- + +.. class:: infomark +**Cite** + +`Open Babel`_ + +.. _Open Babel: http://openbabel.org/wiki/Main_Page </help> </tool>
