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2016-1 Schrodinger Python API
Package schrodinger :: Package application :: Package desmond :: Module int_fepio
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Module int_fepio

Module to write out FEP .cms using int_match module

Functions [hide private]
 
fepio_atom_map(alc, fepio_maps, A, B)
 
generate_canonical(fepio_atommaps)
 
ffio_index_map(ffio)
 
fepio_matched_map(alc, fepio, Aff_index_map, Bff_index_map, term_type)
 
fepio_unmatched_map(alc, fepio, Aff_index_map, Bff_index_map, term_type, wm_type, mut_type)
 
fepio_pair_map(alc_pair, alc_excl, alc_atom, fepio, Aff_index_map, Bff_index_map)
 
create_fepio_schema(ct)
 
fep_dihedral_restraint(ff, fepio, st, restr, use_ti=True, fc=10.0)
 
write_fepio_from_int_map(in_fname, out_fname)
Variables [hide private]
  canonical = None
hash(x)
  __package__ = 'schrodinger.application.desmond'
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2016-1 Schrodinger Python API
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