Iterate sses
From PyMOLWiki
A slightly more complex version of ss that allows the user to pass in a function to act on the sse list. Of course, this requires the user to know about the internals of the sse class, but since this code is all open I doubt that matters..
def iterate_sses(selection, action): class SSE(object): def __init__(self, start, typ, sseNumber): self.start, self.typ = start, typ self.end = -1 self.sseNumber = sseNumber def __repr__(self): return "%s-%s %s" % (self.start, self.end, self.typ) stored.pairs = [] cmd.iterate(selection, "stored.pairs.append((resi, ss))") num, currentType = stored.pairs[0] sseNumber = 1 sses = [SSE(num, currentType, sseNumber)] currentSSE = sses[0] for resi, ssType in stored.pairs: if ssType == currentType: currentSSE.end = resi else: sseNumber += 1 sses.append(SSE(resi, ssType, sseNumber)) currentSSE = sses[-1] currentType = ssType for sse in sses: action(sse) cmd.extend("iterate_sses", iterate_sses)
As an example, here is a function that makes a series of selections, one for each sse, called "H1", "E2", and so on. Use it like: "iterate_sses('my_protein', doSelect)".
def doSelect(sse): cmd.select("%s%s" % (sse.typ, sse.sseNumber), "i. %s-%s" % (sse.start, sse.end))
