xenial (1) chemdiff.1.gz

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

AUTHOR

       This  manual  page  was  written by Daniel Leidert <dleidert@debian.org>, for the Debian GNU/Linux system
       (but may be used by others).