| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/bgruening/chemfp/ctb_chemfp_nxn_clustering/1.6.1+0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/bgruening/chemfp/ctb_chemfp_nxn_clustering/0.2 |
| ctb_chemfp_nxn_clustering |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| chemfp | 1.6.1 | package |
| matplotlib | 2.2.5 | package |
| scipy | 1.2.1 | package |
| Additional information about this tool |
python '$__tool_directory__/nxn_clustering.py'
-i '$infile'
-t $threshold
#if str($output_files) in ['both', 'image']:
--cluster '$image'
#end if
#if str($output_files) in ['both', 'matrix']:
--smatrix '$similarity_matrix'
#end if
--oformat '$oformat'
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
infile: targets.fps threshold: 0.75 oformat: svg output_files: both |
name: value name: value |
targets.fps value |