Repository shape_it
Name: shape_it
Owner: bgruening
Synopsis: Shape-it is a tool that aligns a reference molecule against a set of database molecules
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:
License: GPL3+
Type: unrestricted
Revision: 1:d7ecb50b2b66
This revision can be installed: True
Times cloned / installed: 220

Contents of this repository

Name Description Version Minimum Galaxy Version
against a database of molecules (shape-it) 16.01

Computational chemistry - Tools for use in computational chemistry