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)[source]¶

schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.ffio_add_block(ffio_ff, ffio_name, block)[source]¶: 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)[source]¶

schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.ffio_add_pseudo_block(ffio_ff, pseudo_list)[source]¶

schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.CtAtoms(ct)[source]¶

schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.CtBonds(ct)[source]¶