VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Nov 27 2008 - 09:36:40 CST

Hi,
  Please try the short script I've attached to this email to see how this
is done.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Nov 27, 2008 at 10:38:46AM +0100, Berit Hinnemann wrote:
> Axel (and others),
>
> Axel, thank you for your reply.
>
> I checked out the documentation I could find on the color command, but I
> cannot see how one can change the color scales.
>
> The command "color scale method XXX" allows me to choose one of the
> predefined color schemes, but not create new schemes.
> I also tried changing the definition of the colors (e.g. taking the BWG
> scheme and setting Blue -> Black, White ->Yellow, Green-> White through
> the rgb values. While this affects the colors of everything else in the
> display window as it should, it does not affect the atoms colored
> according to the color scale.
>
> I would be grateful for any suggestions.
>
> Thank you. Best regards, Berit
> Berit Hinnemann
> Research Scientist | Characterization Department | Research & Development
> Haldor Topsøe A/S
> Nymøllevej 55
> DK-2800 Kgs. Lyngby
> Phone: +45 4527 2130 (direct)
> Haldor Topsøe is market leading within heterogeneous catalysis and
> supplies catalysts and process design for oil refineries, chemical plants
> and the energy sector. The environment plays an important role in Topsøe's
> research and production, and through the introduction of new catalysts and
> technologies the company supports a more sustainable use of the world's
> resources. Annual revenues total DKK 3.5 billion generated by our 1,700
> dedicated employees. For additional information please see our web site
> www.topsoe.com
>
>
>
> "Axel Kohlmeyer" <akohlmey_at_cmm.chem.upenn.edu>
> Sent by: owner-vmd-l_at_ks.uiuc.edu
> 26-11-2008 19:53
>
>
> To
> Berit Hinnemann [BEHI]@htas
> cc
> vmd-l_at_ks.uiuc.edu
>
>
> Subject
> Re: vmd-l: Other color scales than the predefined ones?
>
>
>
>
>
>
> berit,
>
> yes. custom color scales are possible.
> please check out the detailed documentation of the color command.
>
> cheers,
> axel.
>
> On 11/26/08, Berit Hinnemann <behi_at_topsoe.dk> wrote:
> > Hi all,
> >
> > Thanks for the great tool vmd, I recently got into tcl scripting and I
> am
> > amazed what one can do.
> > I have a question regarding color scales for plotting gradients. There
> are
> > several predefined color scales (red-white-blue, red-white-green,
> > white-gray-black etc.) but I would like to use a color scale that is not
> > there (yellow to black). Is it possible to custom-define color scales?
> >
> > Thanks a lot! Best regards, Berit
> > Berit Hinnemann
> > Research Scientist | Characterization Department | Research &
> Development
> > Haldor Topsøe A/S
> > Nymøllevej 55
> > DK-2800 Kgs. Lyngby
> > Phone: +45 4527 2130 (direct)
> > Haldor Topsøe is market leading within heterogeneous catalysis and
> > supplies catalysts and process design for oil refineries, chemical
> plants
> > and the energy sector. The environment plays an important role in
> Topsøe's
> > research and production, and through the introduction of new catalysts
> and
> > technologies the company supports a more sustainable use of the world's
> > resources. Annual revenues total DKK 3.5 billion generated by our 1,700
> > dedicated employees. For additional information please see our web site
> > www.topsoe.com
> >
> >
> > This e-mail message (including attachments, if any) is confidential and
> > may be privileged. It is intended only for the addressee.
> > Any unauthorised distribution or disclosure is prohibited. Disclosure to
> > anyone other than the intended recipient does not constitute waiver of
> > privilege.
> > If you have received this e-mail in error, please notify the sender by
> > e-mail and delete it and any attachments from your computer system and
> > records.
> > HALDOR TOPSOE (www.topsoe.com)
> >
>
>
> --
> =======================================================================
> Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu
> Center for Molecular Modeling -- University of Pennsylvania
> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
> tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
> =======================================================================
> If you make something idiot-proof, the universe creates a better idiot.
>
>
>
>
>
> This e-mail message (including attachments, if any) is confidential and
> may be privileged. It is intended only for the addressee.
> Any unauthorised distribution or disclosure is prohibited. Disclosure to
> anyone other than the intended recipient does not constitute waiver of
> privilege.
> If you have received this e-mail in error, please notify the sender by
> e-mail and delete it and any attachments from your computer system and
> records.
> HALDOR TOPSOE (www.topsoe.com) 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078