Mercurial > repos > recetox > xtb_molecular_optimization
comparison xtb_molecular_optimization.xml @ 2:6e1ef071fffc draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/xtb commit 68505a19637f8374cc5bde7e6b9370647a064ca9
| author | recetox |
|---|---|
| date | Thu, 25 Jul 2024 14:27:18 +0000 |
| parents | cba7123c2741 |
| children |
comparison
equal
deleted
inserted
replaced
| 1:cba7123c2741 | 2:6e1ef071fffc |
|---|---|
| 1 <tool id="xtb_molecular_optimization" name="xtb molecular optimization" version="@TOOL_VERSION@+galaxy2" profile="21.09"> | 1 <tool id="xtb_molecular_optimization" name="xtb molecular optimization" version="@TOOL_VERSION@+galaxy3" profile="21.09"> |
| 2 <description>Semiempirical quantum mechanical molecular optimization method</description> | 2 <description>Semiempirical quantum mechanical molecular optimization method</description> |
| 3 <macros> | 3 <macros> |
| 4 <import>macros.xml</import> | 4 <import>macros.xml</import> |
| 5 </macros> | 5 </macros> |
| 6 <expand macro="edam"/> | |
| 6 <expand macro="creator"/> | 7 <expand macro="creator"/> |
| 7 <requirements> | 8 <requirements> |
| 8 <requirement type="package" version="@TOOL_VERSION@">xtb</requirement> | 9 <requirement type="package" version="@TOOL_VERSION@">xtb</requirement> |
| 9 </requirements> | 10 </requirements> |
| 10 <command detect_errors="exit_code"><![CDATA[ | 11 <command detect_errors="exit_code"><![CDATA[ |