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
Do you have feedback, questions, comments about NodePit, want to support this platform, or want your own nodes or workflows listed here as well? Do you think, the search results could be improved or something is missing? Then please get in touch! Alternatively, you can send us an email to email@example.com, follow @NodePit on Twitter, or chat on Gitter!
Please note that this is only about NodePit. We do not provide general support for KNIME — please use the KNIME forums instead.