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PDBSET accounts for this for you providing you give it the new cell and
symgen x,y,z: the old coordinates are converted to fractions then converted
back to As according to the new cell..
if the two cells differ this will systematically inflate or deflate your
molecule and, hence, distorted geometry
--dvd (still catching up with e-mails, hence the tardy response)
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Gerard J. Kleywegt
[Research Fellow of the Royal Swedish Academy of Sciences]
Dept. of Cell & Molecular Biology University of Uppsala
Biomedical Centre Box 596
SE-751 24 Uppsala SWEDEN
http://xray.bmc.uu.se/gerard/ mailto:[EMAIL PROTECTED]
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