type os in NAD = type os in Osmium

Jordi Benach jordi at barra.csb.ki.se
Tue Jul 22 02:25:06 EST 1997


Dear X-plorers,

Thanks for all the helpful comments about my problem in refining the NAD
molecule. The problem was solved - amazingly after the first answer in
this newsgroup - by changing all the oxygen types called OS to something
else in the param.nad and topology.nad files. Since it seems that they're
interpreted as Osmium atoms in the scatter.lib file, that's why I always
got 100 A2 for those O atoms during refinement.

cheers,

Jordi

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Jordi Benach, M.Sc.
PhD Student X-Ray Unit
Karolinska Institute, Center for Structural Biochemistry
Dep of Biosciences, NOVUM, S-141 57 HUDDINGE, SWEDEN
Phone: +46-8-6089177	Fax: +46-8-6089290	E-mail: jordi.benach at csb.ki.se
Web page:http://www.csb.ki.se/users/xray/jordi/jordi.html
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