| Previous changeset 0:e3c4312457b6 (2020-07-21) |
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Commit message:
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit d1d0ec4ebc97b2274b18a0aab99f41addd5357ae" |
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modified:
macros.xml test-data/poses.sdf |
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| diff -r e3c4312457b6 -r 8ef5428fb809 macros.xml --- a/macros.xml Tue Jul 21 05:23:11 2020 -0400 +++ b/macros.xml Mon Jul 27 11:31:58 2020 -0400 |
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| @@ -1,5 +1,5 @@ <macros> - <token name="@TOOL_VERSION@">1.1.3</token> + <token name="@TOOL_VERSION@">1.1.4</token> <xml name="requirements"> <requirements> <requirement type="package" version="@TOOL_VERSION@">im-pipelines</requirement> @@ -7,7 +7,7 @@ </xml> <xml name="input"> - <param name="infile" type="data" format="sdf" label="Input file" help="Input file in SDF or JSON format"/> + <param name="infile" type="data" format="sdf" label="Input file" help="Input file in SDF format"/> </xml> <xml name="outputs" token_output_format="sdf" token_filetype="sdf"> @@ -21,16 +21,16 @@ <citations> <citation type="bibtex"> @article{rdkit, - author = {Greg Landrum and others}, - title = {RDKit: Open-source cheminformatics}, - url = {http://www.rdkit.org} - }</citation> + author = {Greg Landrum and others}, + title = {RDKit: Open-source cheminformatics}, + url = {http://www.rdkit.org} + }</citation> <citation type="bibtex"> @article{im-pipelines, - author = {Tim Dudgeon and others}, - title = {InformaticsMatters pipeline components for cheminformatics and computational chemistry.}, - url = {https://github.com/InformaticsMatters/pipelines} - }</citation> + author = {Tim Dudgeon and others}, + title = {InformaticsMatters pipeline components for cheminformatics and computational chemistry.}, + url = {https://github.com/InformaticsMatters/pipelines} + }</citation> <yield /> </citations> </xml> |
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| diff -r e3c4312457b6 -r 8ef5428fb809 test-data/poses.sdf --- a/test-data/poses.sdf Tue Jul 21 05:23:11 2020 -0400 +++ b/test-data/poses.sdf Mon Jul 27 11:31:58 2020 -0400 |
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| @@ -961,4 +961,4 @@ > <TETHERED ATOMS> (14) 1,2,3,4,5,6,7,8,9,10,11,15,16 -$$$$ +$$$$ \ No newline at end of file |