Dear CCP4ers
Do you recognize your Python code in the script below? I got this from a script
in the PyMOL wiki last year but now I can't locate it or identify the author. I
have used this syntax extensively in some structural analysis that I am now
writing up and I would like to credit the originator (PyMOL and the wiki both
get a citation obviouslybut I checked and neither Warren Delano nor Jason
Vertrees is the author).
for a in cmd.index("A//37/CB"):
for b in cmd.index("B//LYS/NZ"):
cmd.select("s1","%s`%d"%a)
cmd.select("s2","%s`%d"%b)
if cmd.select("(s1|s2) and not ?skip"):
if cmd.dist("tmp","s1","s2") < 20.0 :
print '',cmd.iterate("s1|s2","print
'',segi,resn,resi,name"),round(cmd.dist("tmp","s1","s2"),3)
Thanks
Best wishes
Martyn
Martyn Symmons
Department of Pathology
University of Cambridge