The numbers do make sense now: AaA, AbA, etc, correspond to different HETATM
groups and (what was confusing me a lot) the No. atoms includes riding
hydrogens.
On Thursday, 2 May 2019, 23:27:49 BST, Jonathan Cooper
<bogba...@yahoo.co.uk> wrote:
In the output statistics part of the GUI there is table of mean B-factors, e.g.
Chain mean B (No. atoms) AAA 23.6( 2596 )AaA 35.4( 29 )AbA 35.2( 10 )AcA 18.9(
10 )AdA 58.5( 10 )AeA 39.5( 119 )BBB 25.5( 2545 )BaB 42.0( 10 )BbB 46.9( 5 )BcB
37.3( 92 )
There is an A- and a B-chain in the structure, each with their own waters, but
can someone explain the AaA, AbA,...AeA, BaB...BcB notation please, since it
is not obvious how this relates to the contents of the PDB file. Thank you.
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