# HG changeset patch # User galaxyp # Date 1500072964 14400 # Node ID fcbdc271f48cf88c468f8c1a7d72324b7195c387 # Parent b8103b8deae20ff75d7fae8d3a649684e9e8da86 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit daf6dfc513ede9b890125d9fff2c2657d834eea9 diff -r b8103b8deae2 -r fcbdc271f48c MSSimulator.xml --- a/MSSimulator.xml Thu Apr 27 12:58:04 2017 -0400 +++ b/MSSimulator.xml Fri Jul 14 18:56:04 2017 -0400 @@ -1,7 +1,7 @@ - + A highly configurable simulator for mass spectrometry experiments. MSSimulator @@ -352,6 +352,9 @@ #if $param_algorithm_MSSim_RawTandemSignal_TandemSim_Simple_add_precursor_peaks: -algorithm:MSSim:RawTandemSignal:TandemSim:Simple:add_precursor_peaks #end if +#if $param_algorithm_MSSim_RawTandemSignal_TandemSim_Simple_add_all_precursor_charges: + -algorithm:MSSim:RawTandemSignal:TandemSim:Simple:add_all_precursor_charges +#end if #if $param_algorithm_MSSim_RawTandemSignal_TandemSim_Simple_add_abundant_immonium_ions: -algorithm:MSSim:RawTandemSignal:TandemSim:Simple:add_abundant_immonium_ions #end if @@ -623,26 +626,26 @@ - + + + + + + + + + + + + + + + - - - - - - - - - - - - - - - + @@ -827,6 +830,7 @@ + diff -r b8103b8deae2 -r fcbdc271f48c macros.xml --- a/macros.xml Thu Apr 27 12:58:04 2017 -0400 +++ b/macros.xml Fri Jul 14 18:56:04 2017 -0400 @@ -2,7 +2,7 @@ - openms + openms xtandem fido msgf_plus diff -r b8103b8deae2 -r fcbdc271f48c readme.md --- a/readme.md Thu Apr 27 12:58:04 2017 -0400 +++ b/readme.md Fri Jul 14 18:56:04 2017 -0400 @@ -14,15 +14,29 @@ Generating OpenMS wrappers ========================== - * install OpenMS (you can do this automatically through the Tool Shed) + * install OpenMS (you can do this automatically through Conda) * create a folder called CTD - * inside of your new installed openms/bin folder, execute the following command: + * if you installed openms as a binary in a specific directory, execute the following command in the `openms/bin` directory: ```bash for binary in `ls`; do ./$binary -write_ctd /PATH/TO/YOUR/CTD; done; ``` - * `MetaProSIP.ctd` includes a not supported character: To use it, search for `²` and replace it (e.g. with `^2`). + * if there is no binary release (e.g. as with version 2.2), download and unpack the Conda package, find the `bin` folder and create a list of the tools as follow: + + ```bash + ls >> tools.txt + ``` + + * search for the `bin` folder of your conda environment containing OpenMS and do: + + ```bash + while read p; do + ./PATH/TO/BIN/$p -write_ctd /PATH/TO/YOUR/CTD; + done -
- - -
- - @@ -22,13 +16,17 @@ + + +
+ @@ -44,7 +42,6 @@ - @@ -62,12 +59,14 @@ + + @@ -78,6 +77,7 @@ +
@@ -154,9 +154,7 @@ - -