BioSimSpace.IO

The IO package contains tools for reading and writing molecular systems.

Functions

fileFormats()

Return a list of the supported formats.

formatInfo(format)

Return information for the specified file format.

readMolecules(files[, property_map])

Read a molecular system from file.

readPDB(id[, pdb4amber, work_dir, property_map])

Read a molecular system from a Protein Data Bank (PDBP) ID in the RSCB PDB website.

readPerturbableSystem(top0, coords0, top1, …)

Read a perturbable system from file.

saveMolecules(filebase, system, fileformat)

Save a molecular system to file.

savePerturbableSystem(filebase, system[, …])

Save a system containing a perturbable molecule.