| 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 |
| toolshed.g2.bx.psu.edu/repos/bgruening/chemfp/ctb_chemfp_nxn_clustering/0.2 (this tool) |
| ctb_chemfp_nxn_clustering |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| numpy | 1.7.0 | package |
| chemfp | 1.1p1 | package |
| matplotlib | 1.2.1 | package |
| scipy | 0.12.0 | package |
| openbabel | 2.3.2 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
infile: q.fps output_files: image |
outfile: NxN_Clustering_on_q.svg |
q.fps NxN_Clustering_on_q.svg |