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PyMol install & resources Binaries pymol ‑ 1.7.1.0.win32 ‑ py2.7.exe Source code Manual.

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Presentation on theme: "PyMol install & resources Binaries pymol ‑ 1.7.1.0.win32 ‑ py2.7.exe Source code Manual."— Presentation transcript:

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2 PyMol install & resources Binaries pymol ‑ win32 ‑ py2.7.exe Source code Manual Wiki Tutorial ol_for_Beginners utorial.html - 1w2i Python https://www.python.org/download/releases/2.7.6/ Windows x86 MSI Installer (2.7.6)

3 L’importanza della forma delle molecole: l’influenza aviaria e lo zanamivir

4 Structures of influenza A proteins and insights into antiviral drug targets. Nat Struct Mol Biol. 2010; 17(5): 530–538. zanamivir (yellow) oseltamivir (green) sialic acid (gray)

5 Active site display >fetch 3ckz Press S button >select zanamivir, resn zmr >select pocketatom, 3ckz near_to 5 of zanamivir show (pocketatom) as surface select pocketres, byres pocketatom >residuelist = [] >iterate pocketres and name CA, residuelist.append((resi, resn)); >for pair in residuelist: print pair[0], pair[1]

6 Enzyme Classification Search : EC=* and Ligand Search : Has free ligands=yes and Representative Structures at 100% Sequence Identity


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