wiki:WishList
Last modified 6 years ago Last modified on 04/28/09 09:36:22

Joe Ringgenberg's wish list:

  • set initial orientation & zoom level on input/output molecules (strainbands)
  • Ga and As atoms don't seem to show up in PyMol? (strainbands)
  • loader within a group
  • warnings: change one input, then auto change
  • 2D contours: axes and labels
  • give unit cell and repeat it (?)
  • molecular movies (or movie player in general)
  • <note> as output element (daniel richards on rappture mailing list)
  • download curve and other output objects as space/tab delimited instead of comma

Baudilio Tejerina's wish list:

  • 2D maps faster rendering than vtk, possibly using nanovis or dislin
  • Tuple data type to take in complex numbers (real,imaginary)
    <tuple id="complex">
        <about>
            <label>Voltage</label>
            <description>Enter the real and imaginary parts of the voltage</description>
        </about>
        <number id="real">
            <about>
                <label>Real</label>
                <description>Enter the real part of the voltage</description>
            </about>
            <units>V</units>
            <default>2V</default>
        </number>
        <number id="imag">
            <about>
                <label>Phase</label>
                <description>Enter the imaginary part of the voltage</description>
            </about>
            <units>rad</units>
            <default>3.14159rad</default>
        </number>
    </tuple>
    
  • Translation of units to their correct symbol in gui, like angstrom to A (with the circle on top) or degrees to the little circle in superscript.
  • Previous parameter lookup syntax

Suppose the following construct....

       <integer id="MSIMIN">
             <about>
               <label> MSiMin </label>
               <description> Minimum state level FROM which to calculate EPR transitions.</description>
             </about>
             <min>             ? </min>
             <max>          ?? </max>
             <default>   ??? </default>
        </integer>

Would it be possible to limit or rather condition, the '?' values above depending on a previously entered parameter?

AbInit wish list:

  • dx parser update to read objects in any order, instead of the specific order we currently read it in.
  • dx parser update to allow for adjusted orientations as provided by deltas in the gridpositions object.

Normal gridpositions object:

object "positions" class gridpositions counts   10   10   10
origin 0 0 0
delta  1.3467560015E-01   0.0000000000E+00   0.0000000000E+00
delta  0.0000000000E+00   1.3467560015E-01   0.0000000000E+00
delta  0.0000000000E+00   0.0000000000E+00   1.3467560015E-01

Adjusted Orientation gridpositions object:

object "positions" class gridpositions counts   10   10   10
origin 0 0 0
delta  1.3467560015E-01   1.3467560015E-01   0.0000000000E+00
delta  1.3467560015E-01   0.0000000000E+00   1.3467560015E-01
delta  0.0000000000E+00   1.3467560015E-01   1.3467560015E-01
  • pymol molecule editor added to molecule viewer.

PyMol? Updates requested by Abhijeet Paul (nanoHUB Ticket #6660):

  • Setting axis color.
  • Differentiate between bonds and box.
  • Put an axis label [x,y,z]

NanoVIS:

  • (nanoHUB Ticket #6756) use simple randomizer to determine which render server to send first request to.