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annotate macros.xml @ 5:62ce73c9d737 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 12823af06b7926cc56aaf9b59cfea9f16d342b8c"
author chemteam
date Thu, 06 Feb 2020 19:41:27 -0500
parents e7d0075052c9
children a0d210b9d287
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fc7293c6cb6a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
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1 <macros>
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e7d0075052c9 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
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2 <token name="@VERSION@">0.20</token>
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fc7293c6cb6a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
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3 <xml name="requirements">
fc7293c6cb6a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
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4 <requirements>
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5 <requirement type="package" version="0.20.1">mdanalysis</requirement>
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6 <yield/>
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fc7293c6cb6a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
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7 </requirements>
fc7293c6cb6a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
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8 </xml>
fc7293c6cb6a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
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9 <xml name="analysis_inputs">
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10 <param format="dcd,xtc" name="trajin" type="data" label="DCD/XTC trajectory input"/>
e7d0075052c9 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
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11 <param format="pdb,gro" name="strin" type="data" label="PDB/GRO input"/>
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fc7293c6cb6a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
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12 <yield/>
fc7293c6cb6a planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
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13 </xml>
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14 <xml name="sanitizer">
ad135cf42274 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
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15 <sanitizer invalid_char="">
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16 <valid initial="string.ascii_letters,string.digits"/>
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17 </sanitizer>
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18 <yield/>
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19 </xml>
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20 <xml name="sanitizer_resids">
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21 <sanitizer invalid_char="">
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22 <valid initial="string.digits"/>
ad135cf42274 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
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23 </sanitizer>
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24 <yield/>
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25 </xml>
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26 <xml name="tests_inputs">
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27 <param name="trajin" value="test.dcd" ftype="dcd"/>
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28 <param name="strin" value="test.pdb" ftype="pdb"/>
e7d0075052c9 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
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29 <yield/>
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30 </xml>
e7d0075052c9 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
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31 <xml name="tests_inputs_gmx">
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32 <param name="trajin" value="test.xtc" ftype="xtc"/>
e7d0075052c9 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
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33 <param name="strin" value="test.gro" ftype="gro"/>
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34 <yield/>
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35 </xml>
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36 <xml name="citations">
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37 <citations>
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38 <citation type="doi">10.1093/bioinformatics/btz107</citation>
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39 <citation type="doi">10.1002/jcc.21787</citation>
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40 <yield/>
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41 </citations>
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42 </xml>
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43 </macros>