schrodinger.application.desmond.packages.viparr1.viparr.viparr_util module

schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.ffio_add_header(ffio_ff, ffio_name, info)

schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.ffio_add_block(ffio_ff, ffio_name, block)

ffio_name = name of block, e.g., ffio_pairs block = [ [[x, x], x, [x, x]], … ]

schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.ffio_add_atoms_block(ffio_ff, block)

schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.ffio_add_pseudo_block(ffio_ff, pseudo_list)

schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.CtAtoms(ct)

schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.CtBonds(ct)