Molecular Dynamics Nodes
This category contains 7 nodes.
Reader for AMBER Trajectory Files (mdcrd and NetCdf)
Processes a list of pharmacophore models to only keep the unique ones. This filtering is based on the feature type and the involved atoms from the ligand. […]
Reads activity profiles and re-scores them according to their summed activities.
Reader for DCD Files
Creates a list of pharmocophores out of a DCD/XTC trajectory and a macromolecule
Reader for TRR Files
Reader for XTC Files
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