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[ccp4bb]: AMORE locked rotation function
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As readers of this mailing list will probably be aware, there are some
problems with the locked rotation function of AMORE.
Two main problems have been identified:
1. Although the documentation specifies the locked rotations as Polar
angles, in fact the program expects the Eulerian equivalents.
2. There is a misprint in generating polar angles for self rotations - a
square root was omitted in the code.
A fixed version of the program can be obtained from the prerelease area
on the Daresbury ftp server (ftp:ccp4a.dl.ac.uk/pub/ccp4/prerelease) as
"amore.f".
IMPORTANT:
This fixed version features another change to the original released
version - it now sorts the rotation function output on the chosen
target, which should result in improved solutions.
Please send any bug reports etc to ccp4@dl.ac.uk.
Peter.
--
*** Support DIAMOND at Daresbury *** http://www.diamond.freewire.co.uk/
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Peter J Briggs, pjx@dl.ac.uk Tel: +44 1925 603455
CCP4, ccp4@dl.ac.uk Fax: +44 1925 603124
http://www.dl.ac.uk/CCP/CCP4/main.html
Daresbury Laboratory, Daresbury, Warrington WA4 4AD
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