The generation of conformations, ligand-based pharmacophores and the screening of molecule libraries can be called from the command line. The executables are located in the LigandScout installation directory.
Usage:
idbgen
[Mandatory arguments] [Optional arguments] [Distribution arguments]
Ligand-based Pharmacophore Generation
Usage:
espresso
[Mandatory arguments] [Optional arguments]
Usage:
iscreen
[Mandatory arguments] [Optional arguments] [Distribution arguments]
Usage:
iworker
[Optional arguments]
Usage:
libsize LIBRARY_FILE (*.smi, *.sdf, *.mol2, *.ldb)
Retrieving Database Information
Usage:
idbinfo
[Mandatory arguments] [Optional arguments]
Usage:
idbmerger
[Mandatory arguments] [Optional arguments] [LIBRARY_FILE (*.ldb) .. ]
Retrieving Start Position File from Library
Usage:
libpos
[Mandatory arguments]
LigandScout License Activation
Usage:
ligandscout_activate
[Mandatory arguments] [Optional arguments]
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