pymol-open-source/layer2/ObjectMolecule3.h at cpp11 - pymol-open-source - Gitea: Git with a cup of tea

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Thomas Holder 07435800fc pbc_wrap/pbc_unwrap, smooth+intra_fit pbc support

- new `pbc_wrap` and `pbc_unwrap` commands
- `intra_fit pbc=1` (default) automatically unwraps and rewraps
- `smooth pbc=1` (default) automatically unwraps and rewraps
- Changes CoordSetRealToFrac/CoordSetFracToReal to take the
  premultiplied state matrix into account

2021-03-26 14:04:35 +01:00

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 #pragma once
 #include "ObjectMolecule.h"
 void ObjectMoleculePBCUnwrap(ObjectMolecule&, bool bymol = true);
 void ObjectMoleculePBCWrap(ObjectMolecule&, float const* center = nullptr);