schrodinger.application.desmond.packages.viparr1.viparr.viparr_util module¶
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schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.
ffio_add_header
(ffio_ff, ffio_name, info)¶
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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]], … ]
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schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.
ffio_add_atoms_block
(ffio_ff, block)¶
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schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.
ffio_add_pseudo_block
(ffio_ff, pseudo_list)¶
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schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.
CtAtoms
(ct)¶
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schrodinger.application.desmond.packages.viparr1.viparr.viparr_util.
CtBonds
(ct)¶