# HG changeset patch # User Bjoern Gruening # Date 1374584001 -7200 # Node ID c09a44237bd5dc54d3a8ab8993a9388e22d7ffe3 # Parent 2aea0f82c5afd6b89b0a436c6ebda56e93863304 ChemicalToolBoX update. diff -r 2aea0f82c5af -r c09a44237bd5 convert/ob_convert.xml --- a/convert/ob_convert.xml Tue Jul 23 00:53:53 2013 +0200 +++ b/convert/ob_convert.xml Tue Jul 23 14:53:21 2013 +0200 @@ -429,7 +429,9 @@ **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 output format can be specified as well as several parameters. Some parameters are available for all tools (e.g. protonation state & pH) others are specific for a given output format (e.g. exclude isotopes for conversion to canSMI). +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). ----- diff -r 2aea0f82c5af -r c09a44237bd5 repository_dependencies.xml --- a/repository_dependencies.xml Tue Jul 23 00:53:53 2013 +0200 +++ b/repository_dependencies.xml Tue Jul 23 14:53:21 2013 +0200 @@ -1,4 +1,4 @@ - + \ No newline at end of file