chemdiff1
Finding duplications and visual comparison of two files containing multiple structures
Usage
chemdiff
Overview
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:
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compare 2 sets of molecules
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find duplicates in a single set of molecules
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test whether a specified molecule (or some set of molecules) belongs to another set of molecules
Releases
Unchanged in 6 releases since Debian 8 (Jessie).