Ss
From PyMolWiki
A command to list a summary of the secondary structure for a selection. Use like "ss my_protein" where "my_protein" is the name of the chain or structure in view.
from pymol import cmd from pymol import stored def ss(selection): class SSE(object): def __init__(self, start, typ): self.start, self.typ = start, typ self.end = -1 def __repr__(self): return "%s-%s %s" % (self.start, self.end, self.typ) stored.pairs = [] cmd.iterate("%s and n. ca" % selection, "stored.pairs.append((resi, ss))") num, currentType = stored.pairs[0] sses = [SSE(num, currentType)] currentSSE = sses[0] for resi, ssType in stored.pairs: if ssType == currentType: currentSSE.end = resi else: sses.append(SSE(resi, ssType)) currentSSE = sses[-1] currentType = ssType for sse in sses: print sse cmd.extend("ss", ss)
