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doc/source/formats/reference/pdb.rst

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@@ -98,13 +98,15 @@ PDB specification
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47 - 54 Real(8.3) z Orthogonal coordinates for Z in Angstroms.
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55 - 60 Real(6.2) occupancy Occupancy.
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61 - 66 Real(6.2) tempFactor Temperature factor.
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67 - 72 (not used in the official PDB format)
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73 - 76 String segID (unofficial PDB format*)
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67 - 72 (not used in the official PDB format*1)
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73 - 76 String segID (unofficial PDB format*2)
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77 - 78 LString(2) element Element symbol, right-justified.
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79 - 80 LString(2) charge Charge on the atom.
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============= ============ =========== =============================================
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*(version change since 2.10.0) The columns 73-76 are not part of the official PDB format but are used by some programs to store/operate the segment ID. For instance, Chimera_ assigns it as the attribute `pdbSegment` to allow command-line specification.
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*1(version change since 2.10.0) The columns 67-72 are not used by MDAnalysis since version 2.10.0.
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*2(version change since 2.10.0) The columns 73-76 are not part of the official PDB format but are used by some programs to store/operate the segment ID. For instance, Chimera_ assigns it as the attribute `pdbSegment` to allow command-line specification.
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.. _Chimera:
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https://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/pdbintro.html#note6

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