Module viparr_util

Functions

ffio_add_header(ffio_ff, ffio_name, info)

ffio_add_block(ffio_ff, ffio_name, block)
ffio_name = name of block, e.g., ffio_pairs block = [ [[x, x], x, [x, x]], ...

ffio_add_atoms_block(ffio_ff, block)

ffio_add_pseudo_block(ffio_ff, pseudo_list)

CtAtoms(ct)

CtBonds(ct)

Variables

__package__ = 'schrodinger.application.desmond.packages.viparr...

Function Details

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

Variables Details

Value:

'schrodinger.application.desmond.packages.viparr1.viparr'