Thank you Bob,
How do I capture that response into a Jmol variable so that I can manipulate
it to obtain only the chain count?
(By the way, show info is not part of the Jmol documentation on the "show"
function http://chemapps.stolaf.edu/jmol/docs/?ver=11.6#show)
Best regards,
Eran
On Sun, Jun 22, 2008 at 8:34 PM, Bob Hanson <[EMAIL PROTECTED]> wrote:
> 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
> > >
> >
> >------------------------------------------------------------------------
> > >
> >
> >-------------------------------------------------------------------------
> > >Check out the new SourceForge.net Marketplace.
> > >It's the best place to buy or sell services for
> > >just about anything Open Source.
> > >http://sourceforge.net/services/buy/index.php
> > >
> >
> >------------------------------------------------------------------------
> > >
> > >_______________________________________________
> > >Jmol-users mailing list
> > >[email protected]
> > <mailto:[email protected]>
> > >https://lists.sourceforge.net/lists/listinfo/jmol-users
> > >
> > >
> >
> >
> > --
> > 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
> >
> >
> >
> >
> -------------------------------------------------------------------------
> > Check out the new SourceForge.net Marketplace.
> > It's the best place to buy or sell services for
> > just about anything Open Source.
> > http://sourceforge.net/services/buy/index.php
> > _______________________________________________
> > Jmol-users mailing list
> > [email protected]
> > <mailto:[email protected]>
> > https://lists.sourceforge.net/lists/listinfo/jmol-users
> >
> >
> >------------------------------------------------------------------------
> >
> >-------------------------------------------------------------------------
> >Check out the new SourceForge.net Marketplace.
> >It's the best place to buy or sell services for
> >just about anything Open Source.
> >http://sourceforge.net/services/buy/index.php
> >
> >------------------------------------------------------------------------
> >
> >_______________________________________________
> >Jmol-users mailing list
> >[email protected]
> >https://lists.sourceforge.net/lists/listinfo/jmol-users
> >
> >
>
>
> --
> 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
>
>
>
> -------------------------------------------------------------------------
> Check out the new SourceForge.net Marketplace.
> It's the best place to buy or sell services for
> just about anything Open Source.
> http://sourceforge.net/services/buy/index.php
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
-------------------------------------------------------------------------
Check out the new SourceForge.net Marketplace.
It's the best place to buy or sell services for
just about anything Open Source.
http://sourceforge.net/services/buy/index.php
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
