Bugs item #1097575, was opened at 2005-01-06 20:14
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Category: Algorithms
Group: None
Status: Open
Resolution: None
Priority: 5
Submitted By: Miguel (migueljmol)
Assigned to: Miguel (migueljmol)
Summary: single residue chains

Initial Comment:
---------------------------- Mensaje original ---------------------------- 
Asunto: [Jmol-users] Single-residue chains invisible in backbone?
De:     "Eric Martz" <[EMAIL PROTECTED]>
Fecha:  Jue, 6 de Enero de 2005, 13:35
Para:   [email protected]
--------------------------------------------------------------------------

The discussion of invisible unbonded atoms in wireframe display 
reminded me:

A related issue is one-residue "chains". In other words, if a single  
residue is given a unique chain name, then the "backbone" display 
leaves  that residue invisible in RasMol 2.6/Chime. In Protein 
Explorer's firstview  backbone trace rendering, I work around this 
by displaying all alpha  carbons and nucleotide phosphorus atoms 
as spheres the same diameter as the  backbone rods. These 
spheres don't change backbone connectors because they  are 
hidden inside the backbone rods for connected residues, but they 
appear  as single isolated spheres for unconnected single-residue 
"chains".

Examples:

1B07 has a single-residue chain named B containing one HIS 
residue (a  histidine tag engineered onto the molecule to assist in 
purification prior  to crystallization). The HIS is chemically part of 
chain B, but was given a  separate chain name because it is not 
coded for by the gene. In PE's  FirstView, "chain" B appears as a 
small purple sphere.
http://molvis.sdsc.edu/protexpl/pe.htm?id=1b07

1ARJ has a single-residue chain P containing one ARG residue 
bound to an  RNA chain. "Chain P" appears as an isolated small 
cyan sphere in PE's  FirstView.
http://molvis.sdsc.edu/protexpl/pe.htm?id=1arj

PROPOSAL for Jmol

For Jmol, I suggest that all backbone displays (backbone, trace, 
cartoon,  etc.) show the alpha-carbon or phosphorus atoms of 
single-residue chains as  small spacefilled spheres.

-Eric


----
Eric Martz, Professor Emeritus, Dept Microbiology
University of Massachusetts, Amherst MA US
http://www.umass.edu/molvis/martz




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