#162 exporting surface

closed
nobody
None
5
2010-03-25
2009-06-27
Anonymous
No

Is their a way to export a molecular surface to maya?

Discussion

  • Angel Herraez
    Angel Herraez
    2009-06-27

    Dear 'nobody',

    The Maya export only supports atoms and bonds.
    I did some work on exporing surfaces to VRML, so we might give it a try if you can provide documentation about the format, guidance on how to do it and a test system (I do not have any Maya viewers).

     
  • It is possible that exporting to VRML can be used and then that file opened with AccuTrans3D. I've been using this to convert to Collada and see a Maya .ma export on the save as menu. I don't have a Maya viewer either so not sure if it works! You can try AccuTrans3D free for 30 days and the licence is US $30, see www.micromouse.com

    The VRML surface exports have been working well for what I need, although exporting orbitals with phase colours on seems to lose the colour. (Pretty easy to put back again)
    Robert

     
  • Angel Herraez
    Angel Herraez
    2009-06-28

    That's an interesting link, Robert.

    BTW, it is micromouse.ca, not .com
    and just $20 !

     
  • Bob Hanson
    Bob Hanson
    2009-06-29

    I will look into this. I worked a bit on the VRML exporter today -- got isosurface displaying properly, with colors and smoothing, so that should be most of it there; as for Maya, it's great that someone is interested in this -- completely user driven. I'd like to see a few Maya files for small surfaces created using other programs. No promises, but it shouldn't be too big a deal since the other exporters are doing it already.

    Bob

     
  • While working with the WRL exports can you advise me what I need to do to get double bonds and perceived aromatic bonds to show up. The MOL files have the bond information but the export/save as VRML gives files without it.
    Thanks Robert
    Angel, glad you were able to find the program despite my poor directions!

     
  • Angel Herraez
    Angel Herraez
    2009-06-29

    So you still are nobody/anonymous ;-)
    Sign yor posts, please. It's kind of hard to talk to nobody ;-)

    I did NOT find any program to view the Maya files. That's why I sent you the link to the example. Does it work for you?
    I'm willing to try and improve the Maya exporter, but without a means to check what it produces, it's going to be tough. On the other hand, I thought that you might not need that if you can do it via vrml.

    The VRML exporter does not support rendering multiple bonds. And I'm afraid that's pretty hard to implement. Right now, one picks the two atoms and draw a cylinder between them; to draw two cylinders there si the problem of how to offset them from the bond line. I am nto able to do that.

    Please provide your feedback / opinion / needs.

     
  • Angel,
    the last post was from RJLancashire, not the original poster and I had logged in so not sure why I came up anonymously.
    If I export VRML files from Accelrys programs the double bonds are there, likewise aromaticity, so if needs be I can generate them by other means. Not a big issue therefore as I have a workaround.

     
  • Angel Herraez
    Angel Herraez
    2009-06-29

    Hi Robert.

    Oh, that's an idea. Maybe by looking at some examples I can figure out how to do the multiple bonds in vrml
    Can you send me the Accelrys-generated vrml for some simple molecules (few atoms)?

     
  • Bob Hanson
    Bob Hanson
    2009-08-12

    OK, so we now have a full VRML and a full IDTF exporter. If these do not suffice, we can look into augmenting the Maya exporter further, but for now this will have to do.

    Please advise.

     
  • Bob Hanson
    Bob Hanson
    2010-03-25

    • status: open --> closed
     
  • Bob Hanson
    Bob Hanson
    2010-03-25

    no response. Closed.