Vol I of International Tables for X-Ray Crystallography

Y. W. Chen ywchen at laue.biochem.ubc.ca
Sat Oct 21 15:09:28 EST 1995


Check

http://laue.biochem.ubc.ca:8080/index.html

It includes a "symmetry equivalent positions generator", based on the CCP4 symop.lib.  You can search by space group symbol or number.

In article <46biq9$1cdg at columba.udac.uu.se>, gerard at rigel.bmc.uu.se (Gerard Kleijwegt) writes:
|> In article <951020095051.20e00319 at bnlarp.bnl.gov>, SWEET at BNLARP.BNL.GOV writes:
|> |> I have used my personal copy of Vol. I at an NSLS beamline for 10 years
|> |> and it's getting dogeared.  It's used principally to find the
|> |> correspondence between space-group name and space-group number, so some of
|> |> its more subtle qualities are wasted and, as you know, it's irreplacable.
|> |> Can you point me to an ASCII or (better) HTML copy of any of this
|> |> information, or more, say the symmetry operations too? 
|> |> 
|> |> =========================================================================
|> |> 	Robert M. Sweet			E-Dress: SWEET at BNL.GOV 
|> |> 	Biology Dept.			Phones:
|> |> 	Brookhaven Nat'l Lab.		516 282 3401  (Office)
|> |> 	Upton, NY  11973		516 282 5642  (Lab)
|> |> 	U.S.A.				516 282 3407  (Facsimile)
|> |> =========================================================================
|> 
|> the CCP4 symop.lib file perhaps ?
|> shouldn't be too difficult to turn it into html
|> 
|> wouldn't it be nice if someone did this (and perhaps
|> also the table of scattering factors from the old
|> volume II, i think, for use in xplor) and made it available ?
|> (hint, hint)
|> 
|> i think randy read's group has a utility on the web
|> that generates spacegroup info based on name/number,
|> including symm ops in xplor format
|> 
|> --gerard

-- 
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Yu Wai CHEN                              Department of Biochemistry
.................................               & Molecular Biology
                                                Faculty of Medicine
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