Galaxy |

rDock docking tool metadata

Miscellaneous

Name: rDock docking

Description: using the sdsort provided with rDock

Id: rdock_sort_filter

Guid: toolshed.g2.bx.psu.edu/repos/bgruening/rdock_sort_filter/rdock_sort_filter/2013.1-0+galaxy0

Version: 2013.1-0+galaxy0

Version command string: None

Display in tool panel: True

Version lineage of this tool (guids ordered most recent to oldest)

toolshed.g2.bx.psu.edu/repos/bgruening/rdock_sort_filter/rdock_sort_filter/2013.1-0+galaxy0 (this tool)

toolshed.g2.bx.psu.edu/repos/bgruening/rdock_sort_filter/rdock_sort_filter/0.2.0

toolshed.g2.bx.psu.edu/repos/bgruening/rdock_sort_filter/rdock_sort_filter/0.1.0

rdock_sort_filter

Requirements (dependencies defined in the <requirements> tag set)

Requirements:

name

version

type

rdock

2013.1-0

package

Functional tests

name

inputs

outputs

required files

Test-1

input: poses.sdf
name_field: Name
sort_field: TransFSScore
descending: True

attributes: name

poses.sdf
name

Test-2

input: poses.sdf
name_field: Name
sort_field: TransFSScore
descending: False

attributes: name

poses.sdf
name

Test-3

filter: $TransFSScore > 0.2
input: poses.sdf
name_field: Name
sort_field: TransFSScore
descending: False

attributes: name

poses.sdf
name

Test-4

filter: $TransFSScore > 0.1 and $TransFSScore > 0.2
input: poses.sdf
name_field: Name
sort_field: TransFSScore
descending: False

attributes: name

poses.sdf
name

Test-5

input: poses.sdf
name_field: Name
sort_field: TransFSScore
descending: True
global_sort: False

attributes: name

poses.sdf
name

Test-6

filter: $TransFSScore > 0.2
input: poses.sdf

attributes: name

poses.sdf
name