User:Karsten Theis/AI tutorial: Difference between revisions
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define ~focal FES:E, FAD:E, MTE:F, MOS:F # Ligands involved in electron transfer (in chain E, F, not G, H) | define ~focal FES:E, FAD:E, MTE:F, MOS:F # Ligands involved in electron transfer (in chain E, F, not G, H) | ||
select (sulfur and MTE:F) or MOS:E.MO; bondOrder single # show bond between sulfur atoms and molybdenum | select (sulfur and MTE:F) or MOS:E.MO; bondOrder single # show bond between sulfur atoms and molybdenum | ||
select ~focal; wireframe 0.36; Spacefill 25% # ball-and-stick | select ~focal; wireframe 0.36; Spacefill 25% # ball-and-stick (atom colors default to CPK upon loading) | ||
select 3001:E.S2 or 3002:E.FE1; label "Fe2S2"; color label [xffa500]; # label electron carriers | select 3001:E.S2 or 3002:E.FE1; label "Fe2S2"; color label [xffa500]; # label electron carriers | ||
select FAD:E.O2; label "FAD" # label electron donor | select FAD:E.O2; label "FAD" # label electron donor (color as atom) | ||
select MOS:F.MO; label "MoCo" # label electron acceptor | select MOS:F.MO; label "MoCo" # label electron acceptor (color as atom) | ||
select ~focal; set labelOffset 4 4; # offset for all labels | select ~focal; set labelOffset 4 4; # offset for all labels | ||
center visible; zoom 400; spin on # there is no good single view, so spin | center visible; zoom 400; spin on # there is no good single view, so spin | ||
