1 | # Fetch map and models
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2 | open emdb:18049
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3 | open 8q04
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4 | open alphafold:A0A8A2F5Y7
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5 | open alphafold:Q33BU5
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6 |
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7 | # Align AF models to PDB model, discard PDB model
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8 | mmaker #3 to #2/a
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9 | mmaker #4 to #2/c
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10 | close #2
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11 |
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12 | # The two AF models become chain A and B in a combined model of the asymmetric unit
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13 | combine #3,4
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14 | close #3,4
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15 |
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16 | # Make sure this new asymmetric unit model fits the map
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17 | fit #2 in #1
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18 |
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19 | # Apply D4 symmetry to the asymmetric unit
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20 | hide #2 models
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21 | view orient
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22 | sym #2 D4 center cofr addMmcifAssembly true
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23 |
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24 | # Discard combination
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25 | close #3
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26 |
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27 | # Save asymmetric unit as CIF
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28 | save /tmp/d4-ASU-model.cif model #2
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29 |
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30 | # Re-open that file; it now has an assembly annotation, as expected
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31 | open /tmp/d4-ASU-model.cif
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32 |
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33 | # Regenerate the assembly stored in the file
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34 | sym #3 assembly 1
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35 |
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36 | # My expectation: the whole ASU (two chains) gets copied with the D4 symmetry
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37 | # The actual result: there is no chain B in the generated assembly
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38 | sel #4/a
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39 | # 3800 residues selected
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40 | sel #4/b
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41 | # Nothing selected; why did chain B not get included in the asymmetric unit?
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