Premin

Prepares multi-ligand structure files for use in Glide and other applications.

Backend implementation

utilities/premin
The command line tool premin is used to implement this node.

Options

Column containing structure
Select column in the data input table containing the structures
Force Field
Available force fields: MMFFs, OPLS_2005 (default)

Input Ports

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Input data table containing molecules in Maestro format

Output Ports

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Molecules in Maestro format

Views

Std output/error of Premin
Std output/error of Premin

Workflows

Links

Developers

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