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MMTSB/CTBP Summer Workshop<br />
Single structure<br />
• Geometry data:<br />
distance, angle, torsion angle, radius of gyration,<br />
least-squares-plane through set of atoms, sugar<br />
conformation (puckering), helix orientation<br />
• Energy data:<br />
energy, interaction_energy, forces, contributions<br />
from each atom, components (SKIPE)<br />
• Composite data:<br />
secondary structure (Kabsch&Sander/DSSP),<br />
hydrogen bonds, RMSD from other structure,<br />
solvent accessible surface area, volume, cavities<br />
© Lennart Nilsson , 2006.
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