diff --git a/doc/source/AUTHORS b/doc/source/AUTHORS index 782d78b6..caa629e0 100644 --- a/doc/source/AUTHORS +++ b/doc/source/AUTHORS @@ -44,3 +44,5 @@ Chronological list of authors 2024 - Mahfuza Humayra Mohona - Rubén Chaves +2025 + - Yu-Yuan (Stuart) Yang \ No newline at end of file diff --git a/doc/source/formats/reference/pdb.rst b/doc/source/formats/reference/pdb.rst index 2250ebc4..a5ca8129 100644 --- a/doc/source/formats/reference/pdb.rst +++ b/doc/source/formats/reference/pdb.rst @@ -98,7 +98,19 @@ PDB specification 47 - 54 Real(8.3) z Orthogonal coordinates for Z in Angstroms. 55 - 60 Real(6.2) occupancy Occupancy. 61 - 66 Real(6.2) tempFactor Temperature factor. - 67 - 76 String segID (unofficial CHARMM extension ?) + 67 - 72 (not used in the official PDB format) + 73 - 76 String segID (unofficial PDB format) 77 - 78 LString(2) element Element symbol, right-justified. 79 - 80 LString(2) charge Charge on the atom. ============= ============ =========== ============================================= + +.. versionchanged:: 2.10.0 + The columns 67-72 are not read by MDAnalysis any more. + +.. note:: + 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*. + + +.. _Chimera: + https://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/pdbintro.html#note6