PDB TVECT records
Frances Bernstein (bernstei@fcb.pdb.bnl.gov)
Tue, 26 Dec 1995 10:43:33 -0500
I posted the following message to the listserver recently but at least two
people did not receive it so I am posting it again. Sorry if it is a
duplication for you. Frances C. Bernstein
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PDB entries can have a record TVECT that is defined as follows:
cols 1 - 5 TVECT
8 - 10 serial number
11 - 20 component of translation vector
21 - 30 component of translation vector
31 - 40 component of translation vector
41 - 70 comment
For structures not comprised of discrete molecules (e.g. infinite
polysaccharide chains) the Protein Data Bank entry will contain a
fragment which can be built into the full structure by the simple
translation of TVECT records.
There does not appear to be an equivalent in mmCIF and there
are PDB entries for polysaccharides that contain TVECT records.
Could appropriate parameters be defined in mmCIF to carry this
information? Thank you.
Frances C. Bernstein