Re: [Jmol-users] drums on jmol colors page

2005-07-28 Thread Miguel
Phil wrote:
> How about the colors used for water, as in WAT HOH and H2O

PDB files generally do not have hydrogen atoms. Therefore WAT, HOH, and
H2O groups generally contain only one atom ... the oxygen.

So ... HOH usually shows up as red.

> (seems to be blue in the Jmol default colors)

I am puzzled as to why you think you have seen blue ... ?

> and for OH (seems to render like H)?

Q: I don't understand what you are asking here


Miguel



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Re: [Jmol-users] drums on jmol colors page

2005-07-28 Thread Phillip Barak

> Very good start. I like the Periodic Table.
> 
> Let me know if you need additional information.

How about the colors used for water, as in WAT HOH and H2O (seems to be
blue in the Jmol default colors), and for OH (seems to render like H)?
I've been all over the constants file and can't pick it out.

--Phil Barak


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Re: [Jmol-users] drums on jmol colors page

2005-07-28 Thread Angel Herraez
Thanks to my being an enthusiast of doing things in Javascript
instead of repeating html, Rolf's suggestions have been too easy to
implement  :-o

This starts to look real good!

El 28 Jul 2005 a las 16:38, Rolf Huehne escribió:
> I would suggest some additions:
>
> The color values should also be given in the form that is understood by
> jmol (e.g. 255,17,125, maybe even in braces [255,17,125]) and not only
> in hexadecimal form.
>
> In the periodic table it would be nice if the title of each cell would
> be the color value. Then a popup would show the value if the mouse rests
> over the cell.



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Re: [Jmol-users] drums on jmol colors page

2005-07-28 Thread Miguel

> I have started to compile a page describing colors used by Jmol.
> For now, it will be linked from the Wiki
> http://wiki.jmol.org/JmolColors

Very good start. I like the Periodic Table.

Let me know if you need additional information.


Miguel



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Re: [Jmol-users] drums on jmol colors page

2005-07-28 Thread nvervell
Hi,

De: "Angel Herraez" <[EMAIL PROTECTED]>
>
>I have started to compile a page describing colors used by Jmol. 
>For now, it will be linked from the Wiki 
>http://wiki.jmol.org/JmolColors

Your draft is really nice :)

The suggestion for a tooltip seems also good to me, or at least reorganizing 
the matrix to be less vertical (page has a lot of empty space on a big screen).

If you're interested, you can modify the source pages of Jmol website to have 
something similar on the colors page.
Otherwise, I will try to do it in August.

Nicolas



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Re: [Jmol-users] drums on jmol colors page

2005-07-28 Thread Rolf Huehne

Angel Herraez wrote:
I have started to compile a page describing colors used by Jmol. 
For now, it will be linked from the Wiki 
http://wiki.jmol.org/JmolColors




I looked at the draft version linked in the Wiki. It looks nice and 
really fills a gap in the jmol documentation. Especially the periodic 
table version shows nicely the reasoning behind the atom color scheme.


I would suggest some additions:

The color values should also be given in the form that is understood by 
jmol (e.g. 255,17,125, maybe even in braces [255,17,125]) and not only 
in hexadecimal form.


In the periodic table it would be nice if the title of each cell would 
be the color value. Then a popup would show the value if the mouse rests 
over the cell.


Regards,
Rolf


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Re: [Jmol-users] drums on jmol colors page

2005-07-28 Thread Angel Herraez
I have started to compile a page describing colors used by Jmol.
For now, it will be linked from the Wiki
http://wiki.jmol.org/JmolColors

El 29 May 2005 a las 12:41, Miguel escribió:
> > This is why I proposed that it be linked to the jmol "Colors" page.
>
> Yes, we should do this.
>
> Per Nico's other email, we the Jmol colors page should also include the
> default definitions of the Jmol element colors.



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Re: [Jmol-users] drums on jmol colors page

2005-05-30 Thread Eric Martz

At 5/29/05, Miguel wrote:

In addition, we should try to add support for DRuMS as a supported color
scheme within Jmol in order to facilitate adoption of of a standard
coloring scheme.


Agreed!



Eric Martz, Professor Emeritus, Dept Microbiology
University of Massachusetts, Amherst MA US
http://www.umass.edu/molvis/martz



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Re: [Jmol-users] drums on jmol colors page

2005-05-29 Thread Miguel

> At 5/29/05, Nicolas Vervelle wrote:
>>is the DRuMS color schemes widely used ?

Eric wrote:

> This is why I proposed that it be linked to the jmol "Colors" page.

Yes, we should do this.

Per Nico's other email, we the Jmol colors page should also include the
default definitions of the Jmol element colors.

> As time
> permits, ideally the whole DRuMS site could be jmol-ized and added to
> jmol.sourceforge.net. For now, I recommend a link to the existing site
> http://www.umass.edu/molvis/drums/ .

Agreed.

In addition, we should try to add support for DRuMS as a supported color
scheme within Jmol in order to facilitate adoption of of a standard
coloring scheme.


Miguel



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Re: [Jmol-users] drums on jmol colors page

2005-05-29 Thread Eric Martz

At 5/29/05, Nicolas Vervelle wrote:

is the DRuMS color schemes widely used ?


Thanks for your reply, Nicolas.

The name "DRuMS" (http://www.umass.edu/molvis/drums/) comes from Driscoll, 
Reichsman, Martz and Sayle.
The core color schemes in DRuMS (elements, secondary structure) are those 
in RasMol (authored by Roger Sayle) and therefore also in Chime (because 
its rendering code is adapted from RasMol's public domain source). (See my 
recent revision of http://wiki.jmol.org/JmolScripting )


Driscoll (with Reichsman and Martz) extended these core schemes to be 
comprehensive, adding  schemes for macromolecule type (protein vs. DNA vs. 
RNA vs. solvent vs. hetero), amino acid sidechain polarity/charge, purines, 
pyrimidines, DNA backbone, RNA backbone, and nucleotide bases. The schemes 
were carefully designed so that any combination of schemes can be used 
concurrently yet all colors are distinct.


The DRuMS core schemes are built into RasMol and Chime. Full DRuMS is used 
by ProteinExplorer.Org (see the "Colored by DRuMS" button/link on its 
FrontDoor page), and in Chime-based tutorials for the popular Lehninger 
Principles of Biochemistry text, tutorials authored by Driscoll and 
Reichsman (http://www.worthpublishers.com/lehninger3d/index2.html). In my 
personal opinion, these tutorials (which I was not involved in authoring) 
set a high standard of scientific and pedagogic quality.


The figures in each major biochemistry textbook (including Lehninger's) use 
different, and often internally inconsistent, color schemes. There is no 
agreed-upon standard for macromolecular colors, or for nucleotide base 
colors in sequences, and many different schemes are in wide use. DRuMS was 
proposed in 2000 partly because of the need for rational color schemes that 
could be used concurrently, and partly in response to this chaos in the field.


The DRuMS color schemes, http://www.umass.edu/molvis/drums/ , are supported 
by downloadable Chime scripts, cascading style sheets for color-matched 
HTML, color charts with RGB codes, demonstration examples, and explicit 
rationales. To my knowledge, DRuMS is the only set of macromolecular color 
schemes with a website, or with this level of documentation and support.


This is why I proposed that it be linked to the jmol "Colors" page. As time 
permits, ideally the whole DRuMS site could be jmol-ized and added to 
jmol.sourceforge.net. For now, I recommend a link to the existing site 
http://www.umass.edu/molvis/drums/ .


-Eric


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Re: [Jmol-users] drums on jmol colors page

2005-05-29 Thread Nicolas Vervelle

Hi,

is the DRuMS color schemes widely used ?
what do others think of adding this to the website ?

I think that if we choose to add it, we should add the color schemes not 
only a link.


IMHO, the colour page on the website should also be completed to add 
default colors used by Jmol.


Nicolas

Eric Martz wrote:

To whom or where/how do I submit requests for changes to the jmol 
website at sourceforge.net?


There's always the solution of using the tracker items on 
sourceforge.net. Just wait a little more to see if you have answers.

BTW, the bugs tracker is more used than the RFE one.

There is no contact info on the website that I can find. I received no 
response to this suggestion posted 5 days ago:


On 5/23/05, Eric Martz wrote to jmol-users:


I'd like to suggest that a new category be added to
the "Colors" page at www.jmol.org, namely "Colors for
Macromolecules". Under this heading I suggest a link
to the DRuMS color schemes,
http://www.umass.edu/molvis/drums

From the main DRuMS page:

"DRuMS is a set of seven standardized, intuitive color
schemes applicable to macromolecular structures and
designed for use on the Web. Color is an efficient and
powerful method for conveying information about a
macromolecule. Adopting a standard color scheme is
important, to avoid confusion and present a clear
message.
DRuMS is freely available to all for use in
noncommercial and commercial contexts. You are invited
to use DRuMS in your own online resources."





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Re: [Jmol-users] drums on jmol colors page

2005-05-28 Thread Eric Martz
To whom or where/how do I submit requests for changes to the jmol website 
at sourceforge.net?


There is no contact info on the website that I can find. I received no 
response to this suggestion posted 5 days ago:


On 5/23/05, Eric Martz wrote to jmol-users:

I'd like to suggest that a new category be added to
the "Colors" page at www.jmol.org, namely "Colors for
Macromolecules". Under this heading I suggest a link
to the DRuMS color schemes,
http://www.umass.edu/molvis/drums

From the main DRuMS page:

"DRuMS is a set of seven standardized, intuitive color
schemes applicable to macromolecular structures and
designed for use on the Web. Color is an efficient and
powerful method for conveying information about a
macromolecule. Adopting a standard color scheme is
important, to avoid confusion and present a clear
message.
DRuMS is freely available to all for use in
noncommercial and commercial contexts. You are invited
to use DRuMS in your own online resources."




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[Jmol-users] drums on jmol colors page

2005-05-23 Thread Eric Martz

I'd like to suggest that a new category be added to
the "Colors" page at www.jmol.org, namely "Colors for
Macromolecules". Under this heading I suggest a link
to the DRuMS color schemes,
http://www.umass.edu/molvis/drums

From the main DRuMS page:

"DRuMS is a set of seven standardized, intuitive color
schemes applicable to macromolecular structures and
designed for use on the Web. Color is an efficient and
powerful method for conveying information about a
macromolecule. Adopting a standard color scheme is
important, to avoid confusion and present a clear
message.
DRuMS is freely available to all for use in
noncommercial and commercial contexts. You are invited
to use DRuMS in your own online resources."



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U Mass, Amherst -- http://www.umass.edu/molvis/martz

Protein Explorer - 3D Visualization: http://proteinexplorer.org
Workshops: http://www.umass.edu/molvis/workshop
Biochem Structure Tutorials http://MolviZ.org
World Index of Molecular Visualization Resources: http://molvisindex.org
ConSurf - Find Conserved Patches in Proteins: http://consurf.tau.ac.il
Atlas of Macromolecules: http://molvis.sdsc.edu/atlas/atlas.htm
PDB Lite Macromolecule Finder: http://pdblite.org
Molecular Visualization EMail List (molvis-list):
  http://bioinformatics.org/mailman/listinfo/molvis-list
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