Mercurial > repos > chemteam > packmol
annotate macros_packmol.xml @ 2:539fb45630e6 draft default tip
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
author | chemteam |
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date | Mon, 07 Oct 2019 12:46:54 -0400 |
parents | 0b8a0ce446f5 |
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rev | line source |
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0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
|
1 <macros> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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2 <xml name="multiple_input" token_name="input_files" token_max_num="10" token_format="txt" token_label="Sparse matrix file (.mtx, .txt)" token_help_text="Specify a sparse matrix file in .txt format."> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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3 <repeat name="@NAME@" min="1" max="@MAX_NUM@" title="Select input file(s):"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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4 <param name="input" type="data" format="@FORMAT@" label="@LABEL@" help="@HELP_TEXT@"/> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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5 <section name="structureparams" title="Structure Parameters (Make Changes!)" expanded="false"> |
2
539fb45630e6
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
0
diff
changeset
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6 <param name="number" label="Number" type="integer" multiple="True" value="100" help="How many molecules to create"/> |
539fb45630e6
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
0
diff
changeset
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7 <param name="radius" label="Radius" type="float" multiple="True" value="1.0" help="Molecular radius (angstroms)"/> |
539fb45630e6
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
0
diff
changeset
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8 <param name="resnumbers" label="Resnumbers" type="integer" multiple="True" value="0" help="Default is to number 1 to n for type 1 and 1 to n for type 2"/> |
0
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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9 <repeat name="constraints_repeat" min="1" max="3" title="Select constraint(s) to apply:"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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10 <conditional name="constraints"> |
2
539fb45630e6
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
0
diff
changeset
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11 <param name="constraint" type="select" label="Shape constraint selection" help="Choose the constraint for the molecules"> |
0
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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12 <option value="fixed">fixed - hold 1 molecule in fixed position (hardcoded number=1) Exclusive other constraints not possible</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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13 <option selected="True" value="cube">cube</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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14 <option value="box">box</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
|
15 <option value="sphere">sphere</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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16 <option value="ellipsoid">ellipsoid </option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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17 <option value="plane">plane</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
|
18 <option value="cylinder">cylinder</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
|
19 </param> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
|
20 <when value="fixed"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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21 <param name="center" type="select" label="Center" help="center"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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22 <option value="Yes">yes</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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23 <option value="No">no</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
|
24 </param> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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25 <param name="x" type="float" value="0.0" label="x" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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26 <param name="y" type="float" value="0.0" label="y" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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27 <param name="z" type="float" value="0.0" label="z" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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28 <param name="a" type="float" value="0.0" label="a" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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29 <param name="b" type="float" value="0.0" label="b" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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30 <param name="g" type="float" value="0.0" label="g" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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31 </when> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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32 <when value="cube"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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33 <param name="placement" type="select" label="Choose placement of molecules" help="Choose the placement of the molecules"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
|
34 <option value="inside">inside</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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35 <option value="outside">outside</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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36 </param> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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37 <param name="xmin" type="float" value="0.0" label="xmin" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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38 <param name="ymin" type="float" value="0.0" label="ymin" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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39 <param name="zmin" type="float" value="0.0" label="zmin" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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40 <param name="d" type="float" value="40.0" label="d" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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41 </when> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
|
42 <when value="box"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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43 <param name="placement" type="select" label="Choose placement of molecules" help="Choose the placement of the molecules"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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44 <option value="inside">inside</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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45 <option value="outside">outside</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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46 </param> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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47 <param name="xmin" type="float" value="0.0" label="xmin" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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48 <param name="ymin" type="float" value="0.0" label="ymin" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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49 <param name="zmin" type="float" value="0.0" label="zmin" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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50 <param name="xmax" type="float" value="40.0" label="xmax" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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51 <param name="ymax" type="float" value="40.0" label="ymax" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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52 <param name="zmax" type="float" value="40.0" label="zmax" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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53 </when> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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54 <when value="sphere"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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55 <param name="placement" type="select" label="Choose placement of molecules" help="Choose the placement of the molecules"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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56 <option value="inside">inside</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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57 <option value="outside">outside</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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58 </param> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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59 <param name="a" type="float" value="0.0" label="a" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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60 <param name="b" type="float" value="0.0" label="b" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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61 <param name="c" type="float" value="0.0" label="c" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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62 <param name="d" type="float" value="40.0" label="d" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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63 </when> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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64 <when value="ellipsoid"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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65 <param name="placement" type="select" label="Choose placement of molecules" help="Choose the placement of the molecules"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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66 <option value="inside">inside</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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67 <option value="outside">outside</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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68 </param> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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69 <param name="a1" type="float" value="0.0" label="a1" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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70 <param name="b1" type="float" value="0.0" label="b1" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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71 <param name="c1" type="float" value="0.0" label="c1" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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72 <param name="a2" type="float" value="20.0" label="a2" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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73 <param name="b2" type="float" value="20.0" label="b2" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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74 <param name="c2" type="float" value="20.0" label="c2" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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75 <param name="d" type="float" value="40.0" label="d" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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76 </when> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
diff
changeset
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77 <when value="plane"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
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78 <param name="placement" type="select" label="Choose placement of molecules" help="Choose the placement of the molecules"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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79 <option value="over">over</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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80 <option value="below">below</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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81 </param> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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82 <param name="a" type="float" value="0.0" label="a" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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83 <param name="b" type="float" value="0.0" label="b" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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84 <param name="c" type="float" value="0.0" label="c" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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85 <param name="d" type="float" value="10.0" label="d" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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86 </when> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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87 <when value="cylinder"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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changeset
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88 <param name="placement" type="select" label="Choose placement of molecules" help="Choose the placement of the molecules"> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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89 <option value="inside">inside</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
parents:
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90 <option value="outside">outside</option> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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91 </param> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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92 <param name="a1" type="float" value="0.0" label="a1" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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93 <param name="b1" type="float" value="0.0" label="b1" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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94 <param name="c1" type="float" value="0.0" label="c1" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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95 <param name="a2" type="float" value="40.0" label="a2" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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96 <param name="b2" type="float" value="40.0" label="b2" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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97 <param name="c2" type="float" value="40.0" label="c2" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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98 <param name="d" type="float" value="10.0" label="d" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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99 <param name="l" type="float" value="10.0" label="l" /> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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100 </when> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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101 </conditional> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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102 </repeat> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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103 </section> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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104 </repeat> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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105 </xml> |
0b8a0ce446f5
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
chemteam
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106 </macros> |