This text discusses how to customize the representation, coloring schemes, and material of a system using VMD (Vibration Modeling) and PyMOL (Python Multi-Component System). VMD is better suited for larger multi-component systems and trajectory handling, while PyMOL offers a wide range of colors, including standard options and more exotic choices.
PyMOL provides extensive coloring possibilities that offer fine-grained control over all coloring controls. The chapter outlines the coloring functions that are most often used in VMD. Users can customize the representation, coloring schemes, and material of their system by selecting the small C and choosing the color.
In PyMOL, each model has a different default backbone color that is used to distinguish it from the previous model. To change this color, users can select the small C and choose the color. AlphaFold is used to predict protein structure models and lDDT plots, and it is possible to color each model based on lDDT values using PyMOL.
VMD/PyMOL and Blender allow users to import the same representations and coloring schemes they use for analysis in VMD or PyMOL. Blender allows users to color both differently and display the different domains in different color schemes, which can be useful when coloring the molecule by property.
In summary, VMD and PyMOL offer various ways to customize the representation, coloring schemes, and material of a system, with VMD being better suited for larger multi-component systems and trajectory handling.
📹 How to change the color of molecule representations
How many colors are there in data visualization?
It is important to consider the format of the visualization, taking into account whether it is to be displayed on a projector, printed, or in grayscale. It is important to be aware of any potential color deficiencies among your audience and to consider the cultural connotations of colors. The use of appropriate tools can assist in the selection or testing of color schemes that are accessible for individuals with color-deficient vision.
How do you change the color scheme in PyMOL?
The PyMOL software permits the basic coloring of molecules through the utilization of the small rightmost buttons located within the object list or the Color command. The predefined set of colors may be edited via the Settings-Colors menu or the Set_Color command. Secondary structures can be colored by assigning discrete hues to helices, sheets, and loops, and then extending the coloration to encompass the loops.
Which option is used to change the color scheme?
To personalize Windows, go to Start > Settings and select Personalization > Colors. Choose Custom and choose your default Windows mode, Light or Dark. Customize the color for window title bars, borders, Start button, or taskbar. Dark mode is for low-lit environments, while Light mode works well during daylight hours. Dark mode is for the Start menu, taskbar, and action center. Accent colors are available for window title bars and borders.
How do you change the background color in VMD?
VMD allows users to customize the colors used for drawing and atoms. To change the background color, click “Display” and select “Background”. To change the color of atoms, choose “Name”, “C”, and “gray”. To enable high-quality rendering, turn on “Ambient Occlusion” and “Shadows” in the “Display Display Settings” window. Click “File Render” in the main window and open the “File Render Controls” window. VMD supports rendering using various rendering packages, including the “Tachyon” renderer.
To use this renderer, select “Tachyon (internal, in-memory rendering)” as the render method and set the “Filename” to the desired output name. Then, click “Start Rendering” to start the rendering process. VMD also comes with an in-built version of the “Tachyon” renderer, which is the best choice for rendering the scene.
How to add labels in VMD?
To label atoms in VMD, follow the Mouse → Label → Atoms menu and right-click on the atom/residue of interest. This will print information to the Terminal, including the name and default labeling color. Another way is to left-click on the display window, hit 1 on the keyboard, and click on the atom you want information on. Graphics → Labels will pull up all the information printed to the Terminal in a GUI.
Distances between two atoms can be labeled by left-clicking on the display window, hitting 2 on the keyboard, and selecting one and then the other. The distance will be listed on the screen, printed to the Terminal, and shown in the labels GUI created through Graphics → Labels.
Angles between three atoms can be labeled by left-clicking the display window, hitting 3 on the keyboard, and selecting them in succession. The order of selections makes a difference, so think through the angle you’re interested in before making your selection.
How do I change the color of my background?
To modify the Windows settings, navigate to the Start menu, select Settings, then Personalization, and finally Colors. There, you may select your preferred color or allow Windows to select an accent color from your background. One may investigate the advantages of a subscription, peruse a selection of training courses, and gain insight into device security. One may also join communities for the purpose of seeking answers to questions, offering feedback, and obtaining expert advice.
How do you change the color of PyMOL?
PyMOL offers a fun way to manipulate color by using the C (Color) button in the names panel. You can use by chain or chainbows to color each chain from blue to red from its N-terminus to its C-terminus. To view these in a browser window, click on the Display menu and select PDB File. A long text file will appear, containing the list of atom positions for the protein molecule. Save the text file as “1HHO. pdb” to work with for this exercise.
However, this is only half of the true hemoglobin molecule, which is often a problem due to crystallography yielding the smallest reproducible unit of a full protein molecule. The symexp command can be used to generate the biological unit using crystallographicsymmetry.
What is the default color format?
SRGB is a standard RGB color space created by HP and Microsoft in 1996 for use on monitors, printers, and the World Wide Web. It was later standardized by the International Electrotechnical Commission (IEC) as IEC 61966-2-1:1999. sRGB is the current defined standard colorspace for the web and is typically used for images without a colorspace or embedded color profile. It codifies display specifications for computer monitors, using the same color primaries and white point as ITU-R BT.
709 for HDTV, a transfer function compatible with CRT displays, and a viewing environment designed to match typical home and office viewing conditions. The gamut of chromaticities in sRGB is represented by a color triangle, which is set to match the range of colors visible to a human with normal trichromatic vision.
How do I change the color of a data label?
To change the appearance of data labels, you can use various methods such as adjusting the border color, clicking on the data labels whose border you want to change, or using Fill and Line >Border. To access the appropriate area, click on Fill and Line, Effects, Size and Properties, or Label Options. To apply custom data label formatting to other data points in a series, click Label Options Data Label Series Clone Current Label. For more information on titles in data labels, refer to Edit titles or data labels in a chart.
How do you change the color of labels in VMD?
In the VMD coloring method, velocity amplitude serves as the color value, with a default value of zero in the absence of a specified value. To modify the color scheme, navigate to the “Graphics” section and then to the “Colors” subsection. There, you will find a list of available methods; select the one that best suits your needs.
What are the colors in VMD?
VMD offers 49 colors with IDs ranging from 0 to 48, with the first 17 colors in alphabetical order: blue, red, gray, orange, yellow, tan, silver, green, white, pink, cyan, purple, lime, mauve, ochre, ice blue, black, white, etc. These colors lack specific names.
📹 VMD Image making tutorial
This online tutorial shows some of the techniques to create beautiful scientific figures using VMD 1.9.2 To download VMD 1.9.2 …
Hi, great tutorial, thanks for that. Please let us know if it’s possible to colour only the the carbon atoms differently in vmd when two drug molecules are present in the structure..the non carbon atoms can have similar colour patters, eg red for oxygen and blue for nitrogen etc. as done conventionally. Similarly, is it possible custom colour different parts (by parts i mean according to residue sequence eg. aa233 to 244 in red and 255 to 266 in white) of the same alpha-helix differently? Sorry for the lengthy questions, hope you don’t mind. Thanks for your patience.