Protein Data Bank entries and symmtery operators

ABOLA at PB3.CHM.BNL.GOV ABOLA at PB3.CHM.BNL.GOV
Tue Mar 5 12:27:38 EST 1991


<Most protein structure files in Brookhaven Protein Data Dank for dimer, tetra,.
<.., proteins only give coordinates for monomers, usually information is given
<for how to performe transformation to obtain coordinates for other chains. I am
<looking for softwares capable doing such transformation.  The hardware platform
<is Silicon Graphics IRIS,  Mac or PC would also be ok.

In most cases the transformation needed to generate symmetry related units
is given by the crystallographic symmetry operators of the space group.
The International Table of Crystallography vol. 1( or Vol A). lists all possible
space groups and the necessary operators.

In some cases the symmetry operator is given by the MTRIX records.  This is
given when the symmetry related unit crystallized in the asymmetric unit
(that is non-crystallographic symmtery).  

If you need further help for a given entry, please get in touch with
me ( or see your local crystallographer for help).  We plan to
include in our entries this type of information in the near future.
( For virus structures, these transforamtions are given in the entry.)

________________________________________________________________
                                 |
enrique e. abola                 |   BITNET:    abola at bnlchm 
Protein Data Bank                |   INTERNET:  abola at pb3.chm.bnl.gov
Department of Chemistry          |   (516)-282-4383
Brookhaven National Laboratory   |
Upton NY 11973                   |
________________________________________________________________
enrique





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