34 lines
716 B
Promela
34 lines
716 B
Promela
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# load structures
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load 1btu.pdb, 1btu
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load 1ce5.pdb, 1ce5
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load 1vgc.pdb, 1vgc
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# separate the ligands
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extract 1btu_lig, 1btu and organic
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extract 1ce5_lig, 1ce5 and organic
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extract 1vgc_lig, 1vgc and organic
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# perform the alignment in the 1btu frame of reference
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align 1ce5////ca, 1btu////ca
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align 1vgc////ca, 1btu////ca
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# bring the ligands along too
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matrix_transfer 1ce5, 1ce5_lig
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matrix_transfer 1vgc, 1vgc_lig
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# save out the coordinates in the 1ce5 frame of reference
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save 1ce5_1ce5.pdb, 1ce5, ref=1ce5
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save 1ce5_1btu.pdb, 1btu, ref=1ce5
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save 1ce5_1vgc.pdb, 1vgc, ref=1ce5
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save 1ce5_1ce5_lig.pdb, 1ce5_lig, ref=1ce5
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save 1ce5_1btu_lig.pdb, 1btu_lig, ref=1ce5
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save 1ce5_1vgc_lig.pdb, 1vgc_lig, ref=1ce5
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