| Previous changeset 0:e99f861ba68a (2020-04-04) Next changeset 2:7fac8e7a12d5 (2020-06-03) |
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Commit message:
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa" |
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modified:
rbcavity.xml |
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added:
rxdock_macros.xml test-data/receptor.prm test-data/wrong_receptor.prm |
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removed:
rdock_macros.xml |
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| diff -r e99f861ba68a -r 583dcdbdbf42 rbcavity.xml --- a/rbcavity.xml Sat Apr 04 15:04:13 2020 -0400 +++ b/rbcavity.xml Sat Apr 25 08:58:47 2020 -0400 |
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| @@ -1,7 +1,7 @@ <tool id="rxdock_rbcavity" name="rxDock cavity definition" version="0.1"> <description>- generate the active site definition needed for rxDock docking</description> <macros> - <import>rdock_macros.xml</import> + <import>rxdock_macros.xml</import> </macros> <expand macro="requirements"/> <command><![CDATA[ |
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| diff -r e99f861ba68a -r 583dcdbdbf42 rdock_macros.xml --- a/rdock_macros.xml Sat Apr 04 15:04:13 2020 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 |
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| @@ -1,12 +0,0 @@ -<macros> - <xml name="citations"> - <citations> - <citation type="doi">10.1371/journal.pcbi.1003571</citation> - </citations> - </xml> - <xml name="requirements"> - <requirements> - <requirement type="package" version="2013.1.0_b93747f3">rxdock</requirement> - </requirements> - </xml> -</macros> |
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| diff -r e99f861ba68a -r 583dcdbdbf42 rxdock_macros.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/rxdock_macros.xml Sat Apr 25 08:58:47 2020 -0400 |
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| @@ -0,0 +1,12 @@ +<macros> + <xml name="citations"> + <citations> + <citation type="doi">10.1371/journal.pcbi.1003571</citation> + </citations> + </xml> + <xml name="requirements"> + <requirements> + <requirement type="package" version="2013.1.0_b93747f3">rxdock</requirement> + </requirements> + </xml> +</macros> |
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| diff -r e99f861ba68a -r 583dcdbdbf42 test-data/receptor.prm --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/receptor.prm Sat Apr 25 08:58:47 2020 -0400 |
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| @@ -0,0 +1,3 @@ +RBT_PARAMETER_FILE_V1.00 +RECEPTOR_FILE receptor.mol2 +RECEPTOR_FLEX 3.0 |
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| diff -r e99f861ba68a -r 583dcdbdbf42 test-data/wrong_receptor.prm --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/wrong_receptor.prm Sat Apr 25 08:58:47 2020 -0400 |
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| @@ -0,0 +1,3 @@ +RBT_PARAMETER_FILE_V1.00 +RECEPTOR_FILE a_terrible_mistake.mol2 +RECEPTOR_FLEX 3.0 |