the chaincount reported in getProperty reports all chains -- including
the "null" valued chain that involves water in older PDB files. Use
show info
for what you want.
$ show info
Molecule name ....... MOL_ID: 1; MOLECULE: HUMAN LYSOZYME; CHAIN: A; EC:
3.2.1.17; ENGINEERED: YES
Secondary Structure . PDB Data Records
Brookhaven Code ..... 1TBY
Number of Chains .... 1
Number of Groups .... 130 (77)
Number of Atoms ..... 948 (154)
Number of Bonds ..... 1048
Number of Models ...... 1
Number of Helices ... 7
Number of Strands ... 7
Number of Turns ..... 7
-Bob
Eran Hodis wrote:
> Thanks Bob,
>
> But I'm getting what appears to be incorrect responses for the chain
> count.
>
> For example...
>
> 1tby and 2fbx should both have chainCount = 1, and indeed when you
> open the Jmol menu by right-clicking on the applet and go to the first
> entry in the menu (the PDB code), you see "chains: 1".
>
> However, opening a console and typing "print
> getproperty("modelinfo","models",1,"chaincount")" gives 2 in both cases.
>
> 3ch7 is an example where the getproperty response matches what we see
> in the Jmol menu.
>
> Am I missing something here?
>
> Best,
> Eran
>
>
> On Thu, Jun 19, 2008 at 11:15 PM, Bob Hanson <[EMAIL PROTECTED]
> <mailto:[EMAIL PROTECTED]>> wrote:
>
> They both are the same -- they need a model index (starting with 1):
>
> print getproperty("modelinfo","models",1,"chaincount")
>
> Eran Hodis wrote:
>
> > It appears that
> >
> > x = getProperty("modelInfo","chainCount")
> >
> > sets x = ""
> >
> > and so does x = getProperty("modelInfo","polymerCount").
> >
> > x = getProperty("modelInfo","modelSetName") returns the right value
> > for x however.
> >
> >
> >
> > Jmol 11.5.41
> >
> >
> >
> > Best,
> > Eran
> >
> >------------------------------------------------------------------------
> >
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> >
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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