get.mcs

Required. First molecule to compare. Should be a `jobjRef` representing an `IAtomContainer`

mol1

Required. Second molecule to compare. Should be a `jobjRef` representing an `IAtomContainer`

mol2

Optional. Default <code>TRUE</code>.

as.molecule

Allows the user to access functionality in the
'CDK', a Java framework for chemoinformatics. This allows the user to load
molecules, evaluate fingerprints, calculate molecular descriptors and so on.
In addition, the 'CDK' API allows the user to view structures in 2D.

get.mcs: get.mcs

Description

Usage

Arguments