Counting molecules

A program that counts the number of molecules, or the number of conformers, in an input molecule file, or files. The flag -conf is used to count conformers. The output is the total molecules or conformers per file, and the total sum if more than one file is used as input. If conformers are counted the average conformer count per molecule is also output.


prompt> molcount -conf input1.oeb.gz input2.oeb.gz


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