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News & Updates Official Release PyMOL v2.3 has been released on February 11, 2019. POSF New PyMOL fellows announced for 2018-2019 Tutorial Plugins Tutorial updated for PyQt5 New Plugin ProBiS H2O is a new plugin for identification of conserved waters in protein structures. Selection keywords New polymer.protein and polymer.nucleic selection keywords. Thanks everyone who participated in the poll! Plugin Update MOLE 2.5 is an updated version of channel analysis software in PyMOL New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons Older News See Older News.

Did you know... Polarpairs Find polar pairs with the cmd.find_pairs function and return them as a list of atom pairs. It finds (more or less) the same contacts like cmd.distance(mode=2). Example pairs = polarpairs('chain A', 'chain B') for p in pairs: dist = cmd.get_distance('(%s`%s)' % p[0], '(%s`%s)' % p[1]) print(p, 'Distance: %.2f' % (dist)) The Script <source lang="python"> (c) 2011 Thomas Holder, MPI for Developmental Biology from pymol import cmd def polarpairs(sel1, sel2, cutoff=4.0, angle=63.0, name=, state=1, quiet=1): ARGUMENTS sel1, sel2 = string: atom selections cutoff = float: distance cutoff angle = float: h-bond angle cutoff in degrees. If angle="default", take "h_bond_max_angle" setting. If angle=0, do not detect h-bonding. name = string: If given, also create a distance object for visual representation SEE ALSO cmd.find_pairs, cmd.distance cutoff = float(cutoff) quiet = int(quiet) state = ..→

A Random PyMOL-generated Cover. See Covers.