| Previous changeset 0:acce5039ece7 (2018-10-14) Next changeset 2:b61cbdf78765 (2019-10-07) |
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Commit message:
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/mdfileconverter commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf" |
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modified:
md_converter.xml |
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| diff -r acce5039ece7 -r f40eb1f8536f md_converter.xml --- a/md_converter.xml Sun Oct 14 05:31:36 2018 -0400 +++ b/md_converter.xml Mon Oct 07 12:53:15 2019 -0400 |
| [ |
| @@ -1,10 +1,10 @@ -<tool id="md_converter" name="MDTraj file converter" version="1.9.1"> +<tool id="md_converter" name="MDTraj file converter" version="1.9.3"> <description>- interconvert between MD trajectory or structure file formats.</description> <requirements> - <requirement type="package" version="1.9.1">mdtraj</requirement> - <requirement type="package" version="2018.2">gromacs</requirement> + <requirement type="package" version="1.9.3">mdtraj</requirement> + <requirement type="package" version="2019.1">gromacs</requirement> </requirements> <command detect_errors="exit_code"><![CDATA[ @@ -48,7 +48,7 @@ </inputs> <outputs> - <data name="output" format="text"> + <data name="output"> <change_format> <when input="output_format" value="gro" format="gro"/> <when input="output_format" value="pdb" format="pdb"/> @@ -63,13 +63,13 @@ <test> <param name="conversion" value="traj" /> <param name="output_format" value="dcd" /> - <param name="input_file" value="traj.xtc" /> + <param name="input_file" value="traj.xtc" ftype="xtc"/> <output name="output" file="traj.dcd" compare="sim_size"/> </test> <test> <param name="conversion" value="traj" /> <param name="output_format" value="trr" /> - <param name="input_file" value="traj.dcd" /> + <param name="input_file" value="traj.dcd" ftype="dcd"/> <output name="output" file="traj.trr"/> </test> <test> @@ -112,4 +112,4 @@ <citation type="doi">10.1016/j.bpj.2015.08.015</citation> <citation type="doi">10.1016/j.softx.2015.06.001</citation> </citations> -</tool> \ No newline at end of file +</tool> |