DeprecatedDeprecated Nodes version 18.104.22.168102141445 by Schrödinger
The ConfGen facility itself uses OPLS_2001 to generate initial trial structures. Minimizations and energy filtering are performed using OPLS_2005 with a distance dependent dielectric constant using a prefactor of 4. This node provides access to the Ligand Torsion Search utility, which was developed for rapid and effective systematic ligand conformation generation in Glide. For details on the search algorithms see the Macromodel documentation.
Note that runs will generate more than one conformer per input structure and therefore this node will create Maestro cells that contain more than one structure/CT, i.e. a single Maestro cell in the output table may contain more than one structure. Nodes such as the Entropy Calculator can use these cells directly, other nodes may require the use of the Maestro expander (from the Tools category) to convert multi-CT cells in to single-CT cells.
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