| Previous changeset 6:44488fa95d1d (2018-09-03) Next changeset 8:adc3b24c083f (2019-05-10) |
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Commit message:
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e |
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modified:
macros.xml remove_protonation_state.xml |
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added:
test-data/2_mol.dat test-data/CO.smarts |
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| diff -r 44488fa95d1d -r 00263ca6ffb8 macros.xml --- a/macros.xml Mon Sep 03 16:42:04 2018 -0400 +++ b/macros.xml Tue May 07 13:36:41 2019 -0400 |
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| @@ -1,9 +1,10 @@ <macros> - <token name="@VERSION@">2.4.1</token> + <token name="@VERSION@">2.4.2</token> <xml name="requirements"> <requirements> <requirement type="package" version="2.4.1">openbabel</requirement> + <requirement type="package" version="3">python</requirement> <yield /> </requirements> </xml> @@ -37,6 +38,3 @@ </citations> </xml> </macros> - - - |
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| diff -r 44488fa95d1d -r 00263ca6ffb8 remove_protonation_state.xml --- a/remove_protonation_state.xml Mon Sep 03 16:42:04 2018 -0400 +++ b/remove_protonation_state.xml Tue May 07 13:36:41 2019 -0400 |
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| @@ -35,6 +35,7 @@ Removes the protonation state of every atom. + ]]> </help> <expand macro="citations"/> |
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| diff -r 44488fa95d1d -r 00263ca6ffb8 test-data/2_mol.dat --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/2_mol.dat Tue May 07 13:36:41 2019 -0400 |
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| @@ -0,0 +1,2 @@ +CC(=O)OC1=CC=CC=C1C(=O)[O-] +CC(=O)OC1=CC=CC=C1C(=O)[O-] |
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| diff -r 44488fa95d1d -r 00263ca6ffb8 test-data/CO.smarts --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/CO.smarts Tue May 07 13:36:41 2019 -0400 |
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| @@ -0,0 +1,1 @@ +CO |