:orphan: .. status publishable .. product Conformer Search .. sectionauthor Xavier .. SME Xavier .. PR Benoit M. .. TW Kathy .. date 2018 .. _ConformersDTS: |medea| |conformersearch| ------------------------- .. only:: latex |partofmedeaenv_latex| .. only:: html |partofmedea| When dealing with organic molecules of medium to large size, molecular properties are conformation dependent. |medea|\ :sup:`®`\ [#TM]_ |conformersearch| systematically builds all conformers, or a representative set of conformers for your molecules. |medea| |conformersearch| is part of the standard |medea| |menvironment|. It comes with a pre-optimized set of search parameters and algorithms, while also allowing custom search protocols. |medea| |conformersearch| deploys the versatile UFF94 forcefield and is thus applicable to a wide variety of molecules. The integration with |medea| structure lists and flowcharts allows for seamless processing and computations using any of |medea|\'s compute engines or property modules. .. admonition:: **Key Benefits** * Straightforward generation of molecular conformers * Integration with other |medea| modules * Conformer structure list storage for use with |medea| |htlaunchpad| .. figure:: /Datasheets/images/conf1_n.png :width: 2.9in :align: center |medea| Conformer Search Settings panel .. figure:: /Datasheets/images/conf2_n.png :width: 2.9in :align: center |medea| Conformer Search Results panel :myquote:`A simple and efficent module, beautifully integrated!` Required Modules ^^^^^^^^^^^^^^^^ * |medea| |menvironment| Recommended Modules ^^^^^^^^^^^^^^^^^^^ * |medea| |htlaunchpad| * |medea| |mlammps| |mstdenv| * |medea| |mvasp| * |medea| |mmopac| * |medea| |mgaussiangui| Find Out More ^^^^^^^^^^^^^ Learn more about |medea| features and capabilities: |databases|, |builders|, |engines|, |urlforcefields|, |modules|, |urlanalysis|, and |highthroughput|. Watch our |webinars| on |medea| for related topics in computational materials simulation design and materials engineering. .. [#TM] |regTMinfo| .. only:: html :download: :download:`pdf `