| 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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