Basically, Tim, you can have * in any field EXCEPT right after the
period, and you can put ? in for any character:
(I'm doing all of this at
<http://fusion.stolaf.edu/chemistry/jmol/xtalx/?PDB=1CRN> )
select *.? [prototype only -- bug in 10.2]
#selects TYR.O, PRO.C, etc., but not TYR.CE1
select *.?? [prototype only -- bug in 10.2]
#selects and one- or two-character atom name
select *.??? [prototype only -- bug in 10.2]
#same as *.
select T??.*;color yellow
#selects TYR and THR, etc.
select T?.*;color yellow
#throws an error because there are no two-letter groups starting with T.
You cannot use * the way you might expect to finish off a name --
select T*.;color yellow
#does NOT work. You have to use ?s
Timothy Driscoll wrote:
On May 6, 2006, at 11:14 p, Bob Hanson wrote:
Timothy Driscoll wrote:
hi all,
I seem to have run into a slew of problems lately. sorry for so
many pleas for help.
I have a pdb file (ATP) that contains several atom records in the
following format:
HETATM 42 1HN6 ATP 1 5.276 3.765 1.510 1.00 0.00
as far as I can tell, this is valid pdb format. I should be able
to select the above atom with this kind of expression:
select *.1HN6
but Jmol throws a script error (end of expression expected).
the workaround is to use
select *.?HN6
But I agree that is a bug. (It's not in column 12 -- it's correctly
in 13-16)
ah ha; the question mark. I did not try that. thanks Bob.
would it be possible to add to the script doc a brief description of
how to use 'wildcard' characters (*, ?, others) in atom expressions?
this might prove useful for others as well.
best,
tim
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