modules/mol/alg/pymod/export_structure_analysis.cc · 5f58882cb82da706a718b5a80ba700e291e0952f · schwede / openstructure

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12 years ago

Correct wrapping for the cases when residues are not whole but split by the PBC · 5a553966

Niklaus Johner authored 12 years ago

The residues first get wrapped and then the entity. The wrapping is per residue
and each residue gets wrapped according to the position of its center of mass

5a553966

History

Correct wrapping for the cases when residues are not whole but split by the PBC

Niklaus Johner authored 12 years ago

The residues first get wrapped and then the entity. The wrapping is per residue
and each residue gets wrapped according to the position of its center of mass

export_structure_analysis.cc 1.66 KiB