DESCRIPTIONchemdiff 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
AUTHORThis manual page was written by Daniel Leidert <[email protected]>, for the Debian GNU/Linux system (but may be used by others).