Molecular Dynamics
Molecular Dynamics Nodes
This category contains 7 nodes.
AMBER Trajectory Reader
Reader for AMBER Trajectory Files (mdcrd and NetCdf)
CHA Filter
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. […]
CHA Re-Score
Reads activity profiles and re-scores them according to their summed activities.
DCD Trajectory Reader
Reader for DCD Files
MD Pharmacophore Creator
Creates a list of pharmocophores out of a DCD/XTC trajectory and a macromolecule
TRR Trajectory Reader
Reader for TRR Files
XTC Trajectory Reader
Reader for XTC Files