|
From: Michael Z. <mic...@ia...> - 2010-01-27 22:55:57
|
Dear PyMOL users, I have browsed the wiki and the first 300 mailing list messages in the archive (the sourceforge archive does not seem to have a search set up for the archive... arg!), but did not find any details about the algorithms behind 'fit' and 'super.' I understand how align works, and it sounds like fit is align but without the processing steps (assumes 1:1 correspondence). Super, on the other hand, sounds more like CE since it is sequence independent, but I cannot find any corroboration on this. I want to run CE or a like algorithm (sequence independent - only concerned with spacial arrangement of alpha carbons) on a large dataset and want to know my options in terms of speed and accuracy. Sincerely, Mike Z |