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News & Updates POSF New PyMOL fellows announced for 2018-2019 Tutorial Plugins Tutorial updated for PyQt5 Official Release PyMOL v2.2 has been released on July 24, 2018. 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... Translate And Measure To use, you would call it like : print translateAndMeasure("molA", "molB", [1,0,0], 4) which would print "overlap" if any of the atoms in molA or molB were within 4 Angstrom after translating by 1 along X. Of course, this could be improved to report exactly which atoms were overlapping, or to make distance objects (using cmd.distance) to show them. <source lang="python"> def translateAndMeasure(selection, other, translationVector, cutoff): cmd.translate(translationVector, selection) return checkDistances(selection, other, cutoff) def checkDistances(moleculeA, moleculeB, cutoff): ids_A = getIds(moleculeA) ids_B = getIds(moleculeB) for idA in ids_A: for idB in idsB: d = distance(moleculeA, idA, moleculeB, idB) if d > cutoff: return "overlap" return "no overlap" def distance(a, idA, b, idB): atomA = "%s and id %s" % (a, idA) atomB = "%s and id %s" % (b, idB) return cmd.get_distance(atomA, atomB) def getIds(selection): ..→

A Random PyMOL-generated Cover. See Covers.