Hi All-
Will reading in a structural ensemble ....
load pdb01.pdb, ens
load pdb02.pdb, ens
...
... automagically align the structures? If not, do I need to run
another command, such as ' intra_fit (name ca) ' ? Or should I use
normal 'fit'?
Also, what is the best method for determining the RMS of the ensemble?
There are a few commands in the reference manual (rms, rms_cur,
intra_rms, intra_rms_cur), and I'm confused as to which is best for
structural ensembles.
Or, to save typing, is there a current web resource for using PyMOL
with NMR models (with hints, scripts, etc.)? One thing I /miss/ from
MOLMOL is the 'sausage' display -- has anyone implemented this in PyMOL
yet?
Thanks,
Doug
