Mercurial > repos > bgruening > rxdock_sort_filter
changeset 1:7be0793dd448 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rxdock commit e9c627440028cfd2c743462927672e0c5e3576aa"
author | bgruening |
---|---|
date | Sat, 25 Apr 2020 08:59:22 -0400 |
parents | 475cde209992 |
children | 4ba7350f00ad |
files | rdock_macros.xml rxdock_macros.xml sort_filter.xml test-data/receptor.prm test-data/wrong_receptor.prm |
diffstat | 5 files changed, 19 insertions(+), 13 deletions(-) [+] |
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--- a/rdock_macros.xml Sat Apr 04 15:08:15 2020 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -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>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/rxdock_macros.xml Sat Apr 25 08:59:22 2020 -0400 @@ -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>
--- a/sort_filter.xml Sat Apr 04 15:08:15 2020 -0400 +++ b/sort_filter.xml Sat Apr 25 08:59:22 2020 -0400 @@ -1,7 +1,7 @@ <tool id="rxdock_sort_filter" name="SDF sort and filter" version="0.1.0"> <description>using the sdsort provided with rxDock</description> <macros> - <import>rdock_macros.xml</import> + <import>rxdock_macros.xml</import> </macros> <expand macro="requirements"/> <command><![CDATA[