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A simple program for viewing 2D pictures of chemical structures and matching SMARTS patterns against them.
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DavidACosgrove/RDKitSV
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This project contains a simple Qt-based program for displaying 2D molecule depictions and matching SMARTS patterns against them. It uses the RDKit (www.rdkit.org) cheminformatics toolkit for the molecule handling. It is primarily a vehicle for development of new drawing classes to replace the current ones in the RDKit toolkit. It is, however, useful in its own right. It requires Qt5, Boost 1.54 or similar, RDKit at least 2013_03 and cmake version 2.8.9 or higher. It has only been tried on linux machines (Centos 6 and Ubuntu 14.04). There's no reason in principle why it shouldn't work on Windows and Macs, but I have nothing on which to try this. [email protected]
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A simple program for viewing 2D pictures of chemical structures and matching SMARTS patterns against them.
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