Mercurial > repos > deepakjadmin > padel_descriptors_test2
changeset 1:9106ed218e47 draft
Deleted selected files
| author | deepakjadmin |
|---|---|
| date | Thu, 07 Jan 2016 01:54:54 -0500 |
| parents | 12b984e59d12 |
| children | 0552efed75f7 |
| files | addact.xml removeduplecate.xml |
| diffstat | 2 files changed, 0 insertions(+), 55 deletions(-) [+] |
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--- a/addact.xml Thu Jan 07 01:38:52 2016 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,36 +0,0 @@ -<tool id="aaapadel002" name="Merge files"> -<description>"Merge data files of Active and Inactive compounds "</description> -<requirements> - <requirement type="set_environment">PADEL_PATH</requirement> - - -</requirements> - - -<command interpreter="perl">\$PADEL_PATH/tool2/addact.pl $Input1 $Activity1 $Input2 $Activity2 $Merged_file</command> -<inputs> -<param format="csv" name="Input1" type="data" label="Descriptor File 1" help="Upload Active/Inactive descriptor file in csv format"/> - <!--param name="Activity1" type="select" label="Choose Appropriate Lable"> - <option value = "Active" selected="TRUE">Active</option> - <option value = "Inactive" >Inactive</option> - </param--> - <param name="Activity1" type="text" value="Active" label="Select type of molecules" help="write something which defines data eg active,positive,inactive,negative,etc." > - <validator type="empty_field" message="This field can't be left blank"/> - </param> - - <param format="txt" name="Input2" type="data" label="Descriptor File 2" help="Upload Active/Inactive descriptor file in csv format"/> - <param name="Activity2" type="text" value="Inactive" label="Select type of molecules" help="write something which defines data eg active,positive,inactive,negative,etc."> - <validator type="empty_field" message="This field can't be left blank"/> - </param> - <!--param name="Activity2" type="select" label="Choose appropriate Label"> - <option value = "Inactive" selected= "TRUE">Inactive</option> - <option value = "Active" >Active</option> - </param--> -</inputs> -<outputs> -<data format="csv" name="Merged_file" label="Merged Mega Descriptor File "/> -</outputs> -<help> -Provide descriptor files of active/positive and inactive/negative molecules and assign them properly. -</help> -</tool>
--- a/removeduplecate.xml Thu Jan 07 01:38:52 2016 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,19 +0,0 @@ -<tool id="aaapadel003" name="Remove redundancy"> -<description>"Removes Repeated Entry From File"</description> -<requirements> - <requirement type="set_environment">PADEL_PATH</requirement> - - -</requirements> - -<command interpreter="Rscript">\$PADEL_PATH/tool3/removeduplecate.R $Input1 $Non_redudant_mega_file</command> -<inputs> -<param format="txt" name="Input1" type="data" label="Merged Descriptor File" help="csv format"/> -</inputs> -<outputs> -<data format="csv" name="Non_redudant_mega_file" label="Non-redundant Mega Descriptor File"/> -</outputs> -<help> -run command with Descriptor file and in csv format only .output file will be in CSV format. -</help> -</tool>