Display Molecule

Description

Transform the molecule structure data into graphic objects for display.

Input Ports

molecule_in MolecularDataType Molecular data.

Parameters

Visibility various toggles The following items can be made independently visible:
atoms
bonds
atom names
residue names
single res name toggle If set only a residue name label per residue is displayed instead of one label per atom.
Fast Rot toggle If set the atom structure is replaced on viewer by a lighter one during manimulations. This is useful with big structures to speedup manipulations.
Resolution radio buttons Sets the resolution of ball and sticks. Useful with big molecules.
Visualization format list Select the visualization format for the molecule. The available formats are:
Ball and Stick
Standard format.
CPK
Usual space filling format.
Colored Stick
Only bonds are show with rounded edges.
Colored Residue
Only bonds are show colored by the corresponding residue type.
Stick
Only bonds are show colored by the default object color.
Licorice
Only bonds are show with rounded edges -like colored stick- but also orphan atoms are show.
Licorice Stick
Same as Stick, but with rounded edges.
Ball and Stick (charge)
The atoms are colored by the charge value.
CPK (charge)
Usual space filling format in which the atoms are colored by the charge value.
Licorice (charge)
Only the bonds are show, but with rounded edges. Also orphan atoms are show. The atoms are colored by the charge value.
Bonds format radio buttons The bonds can be represented as:
lines
tube
all H bonds (normal and H-bonds) as lines
only the H-bonds as lines
Split Color toggle Set the coloring of bonds to be two uniform bands instead of an interpolated color between the two atoms colors.
Open display parameter settings button Open an auxiliar screen to set rarely changed graphic display settings.
use manual limits toggle This section appears only if a representation that maps charge values is selected. For the charge color mapping use the limits entered below. If not set the charge limits are computed by the module and show in the fields below.
min, max numeric fields Limits of the atoms charge values. Used to color the atoms itself.

Output Ports

obj DefaultObject Graphic object to be sent to the viewer (MolViewer or the standard Uviewer3D).
display_params DisplayParams Molecule display settings data.