This is the command chemdiff that can be run in the OnWorks free hosting provider using one of our multiple free online workstations such as Ubuntu Online, Fedora Online, Windows online emulator or MAC OS online emulator
PROGRAM:
NAME
chemdiff - finding duplications and visual comparison of two files containing multiple
structures
SYNOPSIS
chemdiff
DESCRIPTION
chemdiff is a graphical Indigo-based utility for finding duplications and visual
comparison of two files containing multiple structures. SDF, SMILES, CML, MOLFILE input
formats are supported. Files can contains large amount of molecules.
There are at least three use cases:
· compare 2 sets of molecules
· find duplicates in a single set of molecules
· test whether a specified molecule (or some set of molecules) belongs to another set
of molecules
Use chemdiff online using onworks.net services
