diff --git a/src/biotite/structure/__init__.py b/src/biotite/structure/__init__.py index df9776324..c8ecec129 100644 --- a/src/biotite/structure/__init__.py +++ b/src/biotite/structure/__init__.py @@ -57,14 +57,15 @@ The following annotation categories are optionally used by some functions: -========= =========== ================= ============================ +========= =========== ================= ========================================= Category Type Examples Description -========= =========== ================= ============================ +========= =========== ================= ========================================= atom_id int 1,2,3, ... Atom serial number b_factor float 0.9, 12.3, ... Temperature factor occupancy float .1, .3, .9, ... Occupancy charge int -2,-1,0,1,2, ... Electric charge of the atom -========= =========== ================= ============================ +sym_id string '1','2','3', ... Symmetry ID for assemblies/symmetry mates +========= =========== ================= ========================================= For each type, the attributes can be accessed directly. Both :class:`AtomArray` and :class:`AtomArrayStack` support diff --git a/src/biotite/structure/io/pdb/convert.py b/src/biotite/structure/io/pdb/convert.py index 127e49fbb..1971bc1ef 100644 --- a/src/biotite/structure/io/pdb/convert.py +++ b/src/biotite/structure/io/pdb/convert.py @@ -218,6 +218,8 @@ def get_assembly( assembly : AtomArray or AtomArrayStack The assembly. The return type depends on the `model` parameter. + Contains the `sym_id` annotation, which enumerates the copies of the asymmetric + unit in the assembly. Examples -------- diff --git a/src/biotite/structure/io/pdb/file.py b/src/biotite/structure/io/pdb/file.py index 6d192dac6..2235cb1fa 100644 --- a/src/biotite/structure/io/pdb/file.py +++ b/src/biotite/structure/io/pdb/file.py @@ -790,6 +790,8 @@ def get_assembly( assembly : AtomArray or AtomArrayStack The assembly. The return type depends on the `model` parameter. + Contains the `sym_id` annotation, which enumerates the copies of the + asymmetric unit in the assembly. Examples -------- diff --git a/src/biotite/structure/io/pdbx/convert.py b/src/biotite/structure/io/pdbx/convert.py index 8d3c52f41..dfb18ad96 100644 --- a/src/biotite/structure/io/pdbx/convert.py +++ b/src/biotite/structure/io/pdbx/convert.py @@ -1557,7 +1557,10 @@ def get_assembly( Returns ------- assembly : AtomArray or AtomArrayStack - The assembly. The return type depends on the `model` parameter. + The assembly. + The return type depends on the `model` parameter. + Contains the `sym_id` annotation, which enumerates the copies of the asymmetric + unit in the assembly. Examples --------