[Xplor-nih] distance plot in pyXplor
Nah Sivar
nahsivar at yahoo.com
Tue May 13 11:46:27 EDT 2008
Is there an equivalent of geomanal/distance_plot.inp in the pyXplor interface ?
specifically, for the statement :
pick bond
(byresidue ( id $id1)) (byresidue ( id $id2)) geometry
evaluate ($distance=$result)
which is said to calculate the distance between mass-weighted centroids of the residues. (seems very concise)
and is there some other way to calculate atom-pairwise distances using the cdsVector or Vec3 modules.
Thanks a lot.
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