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
Marcela,
Sorry, PyMOL can only compute rmsds on pairs of structures, not ensembles.
Cheers,
Warren
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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
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DeLano Scientific LLC
Subscriber Support Ser
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
