# HG changeset patch # User iuc # Date 1742455444 0 # Node ID 14f811f46fe3db4479e9bc47d294cce3ba59d11f # Parent 7ee6e2bc2936624270782994b63671d0c410f39d planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/rrparser commit 83279dc554c34566720f3857ac914a2e4fd85a8d diff -r 7ee6e2bc2936 -r 14f811f46fe3 rrparser.xml --- a/rrparser.xml Thu Apr 13 07:26:47 2023 +0000 +++ b/rrparser.xml Thu Mar 20 07:24:04 2025 +0000 @@ -2,7 +2,7 @@ Retrieve the reaction rules from RetroRules 0 - 2.5.2 + 2.6.0 rrparser @@ -38,6 +38,9 @@ + + + @@ -90,7 +93,7 @@ Retrieve the reaction rules from `RetroRules `_ extracted from public databases and expressed in the community-standard SMARTS (SMILES arbitrary target specification) format, augmented by a rule representation at different levels of specificity (the atomic environment around the reaction center). -The generated output is a file containing reaction rules which are generic descriptions of chemical reactions that can be used in retrosynthesis workflows (e.g. `Retrosynthesis KNIME Workflow `_) in order to enumerate all possible biosynthetic routes connecting a target molecule to its precursors. +The generated output is a file containing reaction rules which are generic descriptions of chemical reactions that can be used in retrosynthesis workflows (e.g. Retrosynthesis KNIME Workflow) in order to enumerate all possible biosynthetic routes connecting a target molecule to its precursors. Input ----- @@ -108,7 +111,7 @@ Version ------- -v2.5.0 +v2.6.0 Authors -------