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Loads components (Atoms, Groups, etc.) in internal format. More...
Public Member Functions | |
virtual void | saveAminoAcid (AminoAcid &node) |
virtual void | saveGroup (Group &group) |
virtual void | saveLigand (Ligand &l) |
virtual void | saveSideChain (SideChain &node) |
virtual void | saveSpacer (Spacer &sp) |
Protected Member Functions | |
void | pSaveAtomVector (vector< Atom > &va, unsigned int offset=0) |
Loads components (Atoms, Groups, etc.) in internal format.
Internal format is defined by listing type, bond length partner & bond length, bond angle partner & bond angle, torsion angle partner & torsion angle plus a chirality (0 if it is a 'true' torsion angle, +1 or -1 if the 'torsion angle' is a second bond angle), for each atom, one per line. NB: Only chirality 0 is currently supported.
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Private helper method to save a vector of atoms. Attention: ID realignment is currently commented out.
vector<Atom> | reference, unsigned int |
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