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)¶