Mercurial > repos > bgruening > openbabel
changeset 22:b4ba90dcfde0 default tip
ChemicalToolBoX update.
| author | Bjoern Gruening <bjoern.gruening@gmail.com> |
|---|---|
| date | Tue, 23 Jul 2013 19:00:18 +0200 |
| parents | c09a44237bd5 |
| children | |
| files | convert/ob_convert.xml |
| diffstat | 1 files changed, 1 insertions(+), 1 deletions(-) [+] |
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--- a/convert/ob_convert.xml Tue Jul 23 14:53:21 2013 +0200 +++ b/convert/ob_convert.xml Tue Jul 23 19:00:18 2013 +0200 @@ -429,7 +429,7 @@ **What this tool does** -The compound converter joins several `Open Babel command prompt converters`_ in an easy to use tool. It converts various chemistry and moleculare modeling data files. +The compound converter joins several `Open Babel`_ command prompt converters in an easy to use tool. It converts various chemistry and moleculare modeling data files. The output format can be specified as well as several parameters. Some parameters are available for all tools (e.g. protonation state and pH) others are specific for a given output format (e.g. exclude isotopes for conversion to canSMI).