get.element.types

Supported elements types are<dl>
<dt>Bicoordinate</dt>
<dd>an central atom involved in a cumulated system (not yet supported)</dd><dt>Tricoordinate</dt>
<dd>an atom at one end of a geometric (double-bond) stereo bond or cumulated system</dd><dt>Tetracoordinate</dt>
<dd>a tetrahedral atom (could also be square planar in future)</dd><dt>None</dt>
<dd>the atom is not a (supported) stereo element type</dd>
</dl>

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.

Zachary CharlopPowers

rcdk

Interface to the 'CDK' Libraries

Rajarshi Guha

Zachary Charlop-Powers

Emma Schymanski

get.element.types function

<dl><dt>mol</dt>
<dd>A <code>jObjRef</code> representing an <code>IAtomContainer</code></dd></dl>

Arguments

Rajarshi Guha <a href="/link/rajarshi.guha%40gmail.com?package=rcdk&version=3.8.1" data-mini-rdoc="rcdk::rajarshi.guha@gmail.com">rajarshi.guha@gmail.com</a>

Author

Supported elements types are<dl>
<dt>Bicoordinate</dt>
<dd>an central atom involved in a cumulated system (not yet supported)</dd>

<dt>Tricoordinate</dt>
<dd>an atom at one end of a geometric (double-bond) stereo bond or cumulated system</dd>

<dt>Tetracoordinate</dt>
<dd>a tetrahedral atom (could also be square planar in future)</dd>

<dt>None</dt>
<dd>the atom is not a (supported) stereo element type</dd>


</dl>

Obtain the type of stereo element support for atom. — get.element.types

<dl>

<dt>mol</dt>
<dd>A <code>jObjRef</code> representing an <code>IAtomContainer</code></dd>

</dl>

Rajarshi Guha <a href='mailto:rajarshi.guha@gmail.com'>rajarshi.guha@gmail.com</a>

get.element.types: Obtain the type of stereo element support for atom.

Description

Usage

Value

Arguments

Author

See Also