Re: [PyMOL] Super, algorithm

2014-11-26 Thread Spencer Bliven
I would also be interested if there is any documentation about the super algorithm and the differences to align. -Spencer On Fri, Nov 14, 2014 at 10:25 PM, Osvaldo Martin aloctavo...@gmail.com wrote: Hi, Exactly which algorithm is behind the super command? How the outliers pairs are

Re: [PyMOL] Super, algorithm

2014-11-26 Thread Thomas Holder
Hi Spencer, unfortunately, to our knowledge, no formal documentation for the super align method exists. It's a sequence-independant (means: residue name independent) sequence alignment method based on 3D coordinates of CA atoms. The RMSD minimizing superposition with outlier rejection is

Re: [PyMOL] Super, algorithm

2014-11-26 Thread Sampson, Jared
Hi Spencer - If you need a superposition algorithm with a published reference, try CEAlignhttp://www.pymolwiki.org/index.php/Cealign. Some references are listed on the page for the former CEAlign Pluginhttp://www.pymolwiki.org/index.php/Cealign_plugin#References from before it was

Re: [PyMOL] Super, algorithm

2014-11-26 Thread Osvaldo Martin
Hi Spencer, If you are interested I have implemented a (preliminary version) of a superposition algorithm (similar to super) using Python/PyMOL. Cheers, Osvaldo. On Wed, Nov 26, 2014 at 2:40 PM, Sampson, Jared jared.samp...@nyumc.org wrote: Hi Spencer - If you need a superposition

[PyMOL] Super, algorithm

2014-11-14 Thread Osvaldo Martin
Hi, Exactly which algorithm is behind the super command? How the outliers pairs are defined? The is some scientific paper related to super or it is really an experimental idea? Thanks. -- Comprehensive Server Monitoring