Howdy,
Just a quick note to those who used my implementation of the Kabsch algorithm
for alignments: I have uploaded another version to the wiki
http://www.pymolwiki.org/index.php/Kabsch
that uses, what I consider, an elegant solution to the problem --- SVD. Also,
the new code fixes a small
Jamaine,
That is the percentage of structures with that particular rotamer out of the
population sampled (either the backbone bin or for the residue type as a
whole). PyMOL presents the rotamers in order of decreasing prevalence.
Cheers,
Warren
--
DeLano Scientific LLC
Subscriber Support Ser
Marcela,
Sorry, PyMOL can only compute rmsds on pairs of structures, not ensembles.
Cheers,
Warren
--
DeLano Scientific LLC
Subscriber Support Services
mailto:del...@delsci.info
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Hello everybody!
I would like to calculate the backbone atoms rmsd of homologous structures
(more than two structures at the time), selecting for each one the structured
region.
Command as fit, rms, pair_fit do it only for pair of structures. Does Pymol has
the possibility to do rmksd calculati
