|Shape-it is a tool that aligns a reference molecule against a set of database
molecules using the shape of the molecules as the align criterion.
It is based on the use of `gaussian volumes as descriptor for molecular shape`_ as it was introduced by Grant and Pickup.
Home page: http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/software/shape-it/1.0.1/shape-it.html
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/shape_it
|Minimum Galaxy Version
|against a database of molecules (shape-it)