Iterate sses: Difference between revisions
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m (same change as for the ss command.) |
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cmd.select("%s%s" % (sse.typ, sse.sseNumber), "i. %s-%s" % (sse.start, sse.end)) | cmd.select("%s%s" % (sse.typ, sse.sseNumber), "i. %s-%s" % (sse.start, sse.end)) | ||
</source> | </source> | ||
[[Category:Script_Library|Iterate SSes]] | |||
[[Category:Structural_Biology_Scripts]] |
Latest revision as of 07:43, 30 April 2009
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))