I/O

This category contains 19 nodes.

Alignment Reader 

Read alignments in FASTA or Maestro format

Alignment Writer 

Write alignments in FASTA or Maestro format

Canvas Fingerprint Reader 

Reads Binary Canvas Fingerprints

Canvas Fingerprint Writer 

Writes Canvas Binary Fingerprint to File

Desmond CMS Reader 

Reads in and stores the location of Desmond Composite Model System files

Desmond Trajectory Reader 

Stores the location of Desmond Trajectories

FEP+ Reader 

Analyze FEP calculations for the relative binding affinities of a set of congeneric ligands to a target.

Glide Grid Reader 

Read Glide Grids

Glide Grid Writer 

Write Glide Grids

Molecule Reader (to MAE) 

Read molecules in Maestro, SD, Mol2, SMILES, CIF or PDB format