VMD-L Mailing List

From: Pawel Kedzierski (kedziers_at_ccmsi.us)
Date: Wed Aug 14 2002 - 23:40:31 CDT

Dear VMD-team,

  I have just switched to the new version of VMD (1.8a21) and I
  experience some incompatibility problems. I am working on a Python
  module which, among other things, shall display electrostatic field
  on a grid. The grid should be independent of the molecular objects
  in order to dynamically change the field visualization in response to
  movement of the molecule(s).

  As of VMD 1.7.1, script-generated graphics was treated as a separate
  molecule having 0 atoms. Apart from a minor inconvenience of an error
  message at the time of creation:
  molecule.load('graphics', 'name')
  due to nonexistant file 'name', it used to work well. Now the same
  instruction fails completely with a ValueError. There is another
  function:
  import graphics(molid, filetype, filename)
  but the description is not very helpful, and some trial-and-error
  have not lead me to a solution.

  If anybody knows, how to create a standalone graphical object from
  VMD 1.8 python interpreter (or how to create cleanly an empty
  molecule, so one can append graphics to it), please let me know.

  Regards,

        Pawel Kedzierski 

-- 
Pawel Kedzierski, kedziers_at_ccmsi.us
Chemistry/CREST, Jacson State University