Mercurial > repos > bgruening > chemical_data_sources
changeset 10:1043c0bb5f77
ChemicalToolBoX update.
author | Bjoern Gruening <bjoern.gruening@gmail.com> |
---|---|
date | Fri, 19 Jul 2013 16:27:42 +0200 |
parents | 955783ed181f |
children | a92bbcf83295 |
files | force_pre-commit_hook_temp_file get_online_data/get_online_data.xml get_pubchem/get_pubchem_as_smiles.xml jmoleditor/jmoleditor.xml |
diffstat | 3 files changed, 49 insertions(+), 5 deletions(-) [+] |
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--- a/get_online_data/get_online_data.xml Mon May 27 16:58:49 2013 +0200 +++ b/get_online_data/get_online_data.xml Fri Jul 19 16:27:42 2013 +0200 @@ -14,7 +14,24 @@ </outputs> <help> - Fetch data via FTP or HTTP and store them in your history. - Supported filetypes are: gz/gzip, rar. ZIP is supported with recurive extracting of specific filetypes. + +.. class:: infomark + +**What this tool does** + +Fetch data via FTP or HTTP and store them in your history. + +----- + +.. class:: infomark + +**Input** + +Supported filetypes are: + - gz/gzip + - rar + +ZIP is supported with recursive extracting of specific filetypes. + </help> </tool>
--- a/get_pubchem/get_pubchem_as_smiles.xml Mon May 27 16:58:49 2013 +0200 +++ b/get_pubchem/get_pubchem_as_smiles.xml Fri Jul 19 16:27:42 2013 +0200 @@ -15,6 +15,22 @@ <tests> </tests> <help> - This tool will fetch one pubchem file after another and convert them to a canonical SMILES. The output will be one large SMILES file. + +.. class:: infomark + +**What this tool does** + +This tool will fetch one PubChem_ file after another and convert them to canonical SMILES. + +.. _PubChem: http://pubchem.ncbi.nlm.nih.gov/ + +----- + +.. class:: infomark + +**Output** + +The output will be one large SMILES file. + </help> </tool>
--- a/jmoleditor/jmoleditor.xml Mon May 27 16:58:49 2013 +0200 +++ b/jmoleditor/jmoleditor.xml Fri Jul 19 16:27:42 2013 +0200 @@ -29,10 +29,21 @@ <options sanitize="False" refresh="True"/> <help> -**What it does** +.. class:: infomark + +**What this tool does** + +Paint a structure and load it into your Galaxy history. + +----- -Paint your strucutre and load it into a Galaxy history. +.. class:: infomark + +**Cite** +Jmol_: an open-source Java viewer for chemical structures in 3D + +.. _Jmol: http://jmol.sourceforge.net/ </help> </tool>