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[, show_warnings, …])	Read a molecular system from file.
readPDB(id[, pdb4amber, work_dir, …])	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.