Repository revision
3:9ca30ad95444

Repository 'fastpca'
hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/fastpca

fastpca tool metadata
Miscellaneous
fastpca
- dimensionality reduction of MD simulations
fastpca
toolshed.g2.bx.psu.edu/repos/chemteam/fastpca/fastpca/0.9.1
0.9.1
None
True
Version lineage of this tool (guids ordered most recent to oldest)
toolshed.g2.bx.psu.edu/repos/chemteam/fastpca/fastpca/0.9.1 (this tool)
fastpca
Requirements (dependencies defined in the <requirements> tag set)
name version type
fastpca 0.9.1 package
Additional information about this tool
fastpca
            -f '$input'
            -p '$output_proj'
            #if str($inputs.cov) == 'None':
                -c '$output_cov'
            #elif str($inputs.vec) == 'None':
                -C '$inputs.cov'
            #end if
            #if str($inputs.vec) == 'None':
                -v $output_vec
            #else:
                -V '$inputs.vec'
            #end if
            #if str($inputs.stats) == 'None':
                -s '$output_stats'
            #else:
                -S '$inputs.stats'
            #end if
            -l '$output_val'
            $norm
            $periodic
            $dynamic_shift
            --verbose

    
None
False
Functional tests
name inputs outputs required files
Test-1 input: contacts.dat
norm: -N
periodic: False
dynamic_shift: False
name: value
name: value
name: value
name: value
name: value
contacts.dat
value
Test-2 input: contacts2.dat
inputs|cov: cov.dat
inputs|stats: stats.dat
norm: -N
periodic: False
dynamic_shift: False
name: value
name: value
contacts2.dat
cov.dat
stats.dat
value