User:Karsten Theis/AI tutorial: Difference between revisions
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</nowiki> | </nowiki> | ||
<scene name=' | <scene name='10/1076814/Nagal_galsa_superposition/1'>Superposition</scene> | ||
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compare {2.1} {1.1} SUBSET{*.CA} ATOMS{~act2}{~act1} ROTATE TRANSLATE # superposition (different sequences, so use alpha carbon) | compare {2.1} {1.1} SUBSET{*.CA} ATOMS{~act2}{~act1} ROTATE TRANSLATE # superposition (different sequences, so use alpha carbon) | ||
set ssbonds SIDECHAIN # disulfide bonds are anchored on SG, not on CA | set ssbonds SIDECHAIN # disulfide bonds are anchored on SG, not on CA | ||
set traceAlpha TRUE | |||
set zshade on | |||
set sheetSmoothing 0.3 | |||
# drawing 3H54 active site | # drawing 3H54 active site | ||
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color bonds yellow # 3LX9 is shown in yellow (just the bonds) | color bonds yellow # 3LX9 is shown in yellow (just the bonds) | ||
select selected and not _C; spacefill 80; color cpk # spacefill, atoms other than carbon shown using CPK color scheme | select selected and not _C; spacefill 80; color cpk # spacefill, atoms other than carbon shown using CPK color scheme | ||
select 2.1 and (46-48, 91-94, 133-135, 141-143, | select 2.1 and (46-48, 91-94, 133-135, 141-143, 167-173, 202-208, 226-232) and *:A.CA;# some main chain context for the active site residues | ||
trace 10; color yellow # show as trace in yellow | trace 10; color yellow # show as trace in yellow | ||
select 2.1 and 1000:A; wireframe 60;; # selecting the sugar in 3LX9 | select 2.1 and 1000:A; wireframe 60;; # selecting the sugar in 3LX9 | ||
