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chemdiff - finding duplications and visual comparison of two files containing multiple structures

Author

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

indigo                                             29/12/2013                                        CHEMDIFF(1)

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

Name

       chemdiff - finding duplications and visual comparison of two files containing multiple structures

Synopsis

chemdiff

See Also