On Fri, May 24, 2013 at 9:54 AM, Angel Herráez angel.herr...@uah.es wrote:
Hello Pshemak
Finally, can the selected groups of atom (ions) be given a name (ID) so
they could be referred to without repeating the selection criteria?
Yes, two ways: using the define command or using a
On 5/24/2013 10:49 AM, Robert Hanson wrote:
On Fri, May 24, 2013 at 9:54 AM, Angel Herráez angel.herr...@uah.es
mailto:angel.herr...@uah.es wrote:
Hello Pshemak
Finally, can the selected groups of atom (ions) be given a name
(ID) so
they could be referred to without
- Ursprüngliche Mail -
Von: Robert Hanson hans...@stolaf.edu
An: jmol-users@lists.sourceforge.net
Gesendet: Montag, 6. Dezember 2010 20:24:35
Betreff: Re: [Jmol-users] select within( radius, ... ) in large pdb files
Looks to me like you are using the wrong notation there. You want:
select within
Looks to me like you are using the wrong notation there. You want:
select within(5.0, 113 and protein)
select within(5.0, atomno=1795)
-- no braces
-- specify protein
-- 5.0, not 5,0 -- US notation there on numbers, not EU -- not select
within(5, 0, 113)
I think what that does is to say
2010/5/21 Angel Herráez angel.herr...@uah.es
I am seeing this as a nice, recent addition in the new.htm
document:
122. select within(BASEPAIR)
# Jmol 12.0.RC5 adds the capability to select atoms based on RNA or
DNA base pairing. Thank you, Neena Grover! load 2qnh.pdb.gz;zoom
300;wireframe
fixed -- will upload shortly. Simple logic error.
On Fri, May 21, 2010 at 8:37 AM, Robert Hanson hans...@stolaf.edu wrote:
2010/5/21 Angel Herráez angel.herr...@uah.es
I am seeing this as a nice, recent addition in the new.htm
document:
122. select within(BASEPAIR)
# Jmol 12.0.RC5 adds
I don't think so. There may have been CG in RasMol, but there was
never any capability that I know of in Jmol to detect hydrogen-bonded
base pairs like that.
Well, certainly no detection of base pairs. That's why I think the
distinction must be made clear. The sets are indeed defined in
Oh, I see what you mean. Yes, I agree that needs to be clearly mentioned.
2010/5/21 Angel Herráez angel.herr...@uah.es
I don't think so. There may have been CG in RasMol, but there was
never any capability that I know of in Jmol to detect hydrogen-bonded
base pairs like that.
Well,
Figured it out thanks,
hkl should be in quotation marks
e.g.
select within(3.0, hkl, {0 0 1})
steve
Stephen Hillier s.hill...@macaulay.ac.uk 01-Jan-10 10:05 PM
I also have question about selecting
after loading a range of unit cells from a CIF file I'm trying to figure out
how
try putting the hkl in quotation marks:
select within(3.0, hkl, {0 0 1})
On Fri, Jan 1, 2010 at 4:05 PM, Stephen Hillier s.hill...@macaulay.ac.ukwrote:
I also have question about selecting
after loading a range of unit cells from a CIF file I'm trying to figure
out how to use 'select
But that is a bug -- now fixed.
On Sat, Jan 2, 2010 at 2:45 PM, Stephen Hillier s.hill...@macaulay.ac.ukwrote:
Figured it out thanks,
hkl should be in quotation marks
e.g.
select within(3.0, hkl, {0 0 1})
steve
Stephen Hillier s.hill...@macaulay.ac.uk 01-Jan-10 10:05 PM
I also
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