Module ferritin_pymol::pymolparsing::parsing

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This module provides structures and implementations for handling PyMOL session data.

It includes definitions for various PyMOL objects such as molecules, selectors, and atom information. The module also provides functionality for converting PyMOL data structures to PDB format using the pdbtbx crate.

Key structures:

  • SessionName: Represents a named session object
  • PyObjectMolecule: Represents a molecule in a PyMOL session
  • SessionSelector: Represents a selection in a PyMOL session
  • AtomInfo: Contains detailed information about individual atoms

This module is designed to work with serialized PyMOL session data and provides methods for deserializing and manipulating this data.

exporter->init(G); exporter->setMulti(multi); exporter->setRefObject(ref_object, ref_state); exporter->execute(sele, state);

CoordSetAtomToPDBStrVLA Variables:

  • m_iter: SeleCoordIterator m_iter; Atoms: how do we check for multiple objects? m_iter.obj defines the object. By number? by name?
  • iterate through the coordinates
  • check for multi update transformation matrices updateMatrix(m_mat_full, true); updateMatrix(m_mat_move, false); beginCoordSet(); m_last_cs = m_iter.cs; for bonds if (!m_tmpids[m_iter.getAtm()]) m_id = m_retain_ids ? m_iter.getAtomInfo()->id : (m_id + 1); m_tmpids[m_iter.getAtm()] = m_id;

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