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Miscellaneous
Schrödinger Community Nodes Vernalis Streamable Utilities Geometric Distance MAE Property Manipulation Tools Protein Data Manipulation
  1. Go to item
    Node / Manipulator
    Extract Column Properties
    Community Nodes Vernalis Miscellaneous
    +1
    This node extracts the column properties for the selected column(s) to a new table. The new table contains three String columns, …
    1
    vernalis
  2. Go to item
    Node / Manipulator
    Split by Structure
    Schrödinger Miscellaneous Structure Manipulation
    Split structures by chain, molecule, or residue. Backend implementation $SCHRODINGER/run split_structure.py
    1
    schroedinger
  3. Go to item
    Node / Manipulator
    Trim Table
    Community Nodes Vernalis Miscellaneous
    This node trims rows of missing values from the start and end of the table, according to the settings. Consider the following tab…
    1
    vernalis
  4. Go to item
    Node / Manipulator
    Add Hydrogens
    Schrödinger Miscellaneous Structure Manipulation
    Adds hydrogen atoms to produce an all-atom structure. Backend implementation utilities/applyhtreat The command line tool applyhtr…
    0
    schroedinger
  5. Go to item
    Node / Manipulator
    Align Binding Sites
    Schrödinger Miscellaneous Utilities
    +1
    This script performs a pairwise superposition of multiple structures using the C-alpha atoms of selected residues. The reference …
    0
    schroedinger
  6. Go to item
    Node / Manipulator
    Append Plate Well IDs
    Community Nodes Vernalis Miscellaneous
    +2
    This node appends plate and well IDs to a table. The user selects the plate size and fill direction. The node appends the followi…
    0
    vernalis
  7. Go to item
    Node / Manipulator
    Assign Bond Orders
    Schrödinger Miscellaneous Utilities
    +1
    Assigns double and triple bonds to input structures based on molecular geometry (bond length, bond angles, and dihedral angles). …
    0
    schroedinger
  8. Go to item
    Node / Other
    Batch Test
    Schrödinger Miscellaneous Tools
    Tests this workflow in batch execution. Backend implementation KNIME_batch.py
    0
    schroedinger
  9. Go to item
    Node / Manipulator
    Boltzmann Population
    Schrödinger Miscellaneous Utilities
    Calculate a Boltzmann population for selected entries and add it as a property. This calculates the Boltzmann energy (property 'r…
    0
    schroedinger
  10. Go to item
    Node / Manipulator
    Compare Ligand Sets
    Schrödinger Miscellaneous Data Manipulation
    Compares and writes a file that contains a subset of structures in file1 and file2, depending on the selected mode Backend implem…
    0
    schroedinger
  11. Go to item
    Node / Manipulator
    Credential Variable Extractor
    Community Nodes Vernalis Miscellaneous
    This node extracts the username from a selected workflow credentials variable. This node was developed by Vernalis Research (Camb…
    0
    vernalis
  12. Go to item
    Node / Manipulator
    Delete Atoms
    Schrödinger Miscellaneous Structure Manipulation
    Delete atoms from a structure file, based on a Maestro ASL expression. Backend implementation $SCHRODINGER/run delete_atoms.py
    0
    schroedinger
  13. Go to item
    Node / Manipulator
    Delete MAE Properties
    Schrödinger Miscellaneous MAE Property Manipulation
    Delete Properties from Maestro CT
    0
    schroedinger
  14. Go to item
    Node / Manipulator
    Distance (1-D)
    Community Nodes Vernalis Miscellaneous
    +2
    This node calculates the distance between two points in 1-D Euclidean space. The coordinates are contained in 2 numerical columns…
    0
    vernalis
  15. Go to item
    Node / Manipulator
    Distance (2-D)
    Community Nodes Vernalis Miscellaneous
    +2
    This node calculates the distance between two points in 2-D Euclidean space. The coordinates are contained in 4 numerical columns…
    0
    vernalis
  16. Go to item
    Node / Manipulator
    Distance (3-D)
    Community Nodes Vernalis Miscellaneous
    +2
    This node calculates the distance between two points in 3-D Euclidean space. The coordinates are contained in 6 numerical columns…
    0
    vernalis
  17. Go to item
    Node / Manipulator
    Distance (n-D)
    Community Nodes Vernalis Miscellaneous
    +2
    This node calculates the distance between two points in nD Euclidean space. The coordinates are contained in 2 columns of numeric…
    0
    vernalis
  18. Go to item
    Node / Manipulator
    Entropy Calculation
    Schrödinger Miscellaneous Utilities
    This script calculates an entropy and Boltzmann-weighted energy (in kJ/mol) for multi-entries. The user can control the temperatu…
    0
    schroedinger
  19. Go to item
    Node / Manipulator
    Extract Atom/bond Properties
    Schrödinger Miscellaneous Structure Manipulation
    This node takes in structures in Maestro, Sdf and Mol2 formats and outputs the properties for the CTs, Atoms, and Bonds into thre…
    0
    schroedinger
  20. Go to item
    Node / Manipulator
    Extract Properties
    Schrödinger Miscellaneous MAE Property Manipulation
    Extract properties from Maestro, Sequence and Alignment Cells. Note that the list of available properties can only be determined …
    0
    schroedinger

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