File: AddingMolecules.htm

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<h2>Adding Molecules</h2>

You can add additional molecules to be searched at any time by
clicking the <tt>Grab Molecule(s) from ChemDraw</tt> button at the
bottom of the Molecule Evaluation page or by selecting the
<tt>Actions->Grab from ChemDraw</tt> menu option.

<p>Clicking this button will add the molecule in the active document
in ChemDraw, and add it to the Molecule Evaluation page. If there are
multiple molecules in the active ChemDraw document, they will each be
added individually to the Molecule Evaluation page.

<p>Molecules brought in from ChemDraw are automatically assigned a
name based on their position in the list. These names can be changed
via a slow double click on the molecule name (like renaming files in
Windows Explorer).

<p>To check whether or not a molecule is able to match the
pharmacophore, click the <tt>+</tt> sign next to its name. This will
expand the molecule and show you a list of possible mappings, if any,
of the pharmacophore onto the molecule's atoms. See the <a
href="ExploringHits.htm">next section</a> for information about
working with these mappings.

<p>Another option for adding molecules is to load all the compounds in
an SD file using the <tt>Actions->Load SD File</tt> menu item. You
will be prompted for the name of an SD file to load. All molecules in
that SD file will be added to the Molecule Evaluation page.
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