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Following is a list of features we would like to add. They
will be implemented as they are needed, but some will not be done until
the next major version.
- Improve PDB reader to read multiple models
and the new "element'' field (see ??? for a program to convert CONECT records to a PSF file)
- element type based on atom name and residue type, if
information isn't given in the PDB
- append and delete specific atoms
- text for raster outputs
- improve surface rendering speeds
- improve sphere rendering speeds
- save more information about current setup (see
section §
for the script commands to save the current setup)
- standardize nomenclature and usage of keywords and other definitions
- add more selection definitions, like purine
- expand the ability of the mouse to pick atoms
- add atom coloring methods
- rewrite the forms using Tk
- faster calculation of hydrogen bonds
- implement ``correct'' transparency
- be able to select bonds
- draw molecular and isoelectric surfaces (a la GRASP) ???
- develop the 3D interface
- improve the interactive steering
- will need to add a new input/output coordinate file (probably GROMOS)
because we are approaching limits to atom and residue number
- read in the electron density maps made by X-PLOR and display
isosurfaces ??? get the right name (based on Joel's comments)
- work on an interface to use X-PLOR scripts as subroutines, perhaps via
Tcl's ``expect''
Justin Gullingsrud
Tue Apr 6 09:22:39 CDT 1999