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https://github.com/schrodinger/pymol-open-source.git
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73 lines
877 B
Promela
73 lines
877 B
Promela
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load $TUT/1hpv.pdb
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# get rid of solvent, ligands, etc.
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remove not polymer
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# measure as a complex
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set dot_solvent,1
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get_area all, load_b=1
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# save areas in occupancy field
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alter all, q=b
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# then split apart into separate objects
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extract chA, chain A
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extract chB, chain B
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# now re-measure
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get_area chA, load_b=1
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get_area chB, load_b=1
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# subtract areas
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alter all, b=b-q
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# now color based on change in exposure
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spectrum b, blue_red
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# and splay apart
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reset
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orient
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mset 1 x150
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mview store, object=chA
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mview store, object=chB
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mview store, 15, object=chA
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mview store, 15, object=chB
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rotate y, -90, object=chA
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translate [-15,0,0], object=chA
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rotate y, 90, object=chB
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translate [15,0,0], object=chB
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mview store, 75, object=chA
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mview store, 75, object=chB
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mview store, 90, object=chA
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mview store, 90, object=chB
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zoom
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show surface
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set surface_solvent
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mplay
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