Questions tagged [vmd]

VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. VMD supports computers running MacOS X, Unix, or Windows, is distributed free of charge, and includes source code.

VMD is designed for modeling, visualization, and analysis of biological systems such as proteins, nucleic acids, lipid bilayer assemblies, etc. It may be used to view more general molecules, as VMD can read standard Protein Data Bank (PDB) files and display the contained structure. VMD provides a wide variety of methods for rendering and coloring a molecule: simple points and lines, CPK spheres and cylinders, licorice bonds, backbone tubes and ribbons, cartoon drawings, and others. VMD can be used to animate and analyze the trajectory of a molecular dynamics (MD) simulation. In particular, VMD can act as a graphical front end for an external MD program by displaying and animating a molecule undergoing simulation on a remote computer.

Homepage of VMD is http://www.ks.uiuc.edu/Research/vmd/

Main developer is University of Illinois at Urbana-Champaign

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Radial density distribution on a MD trajectory

I have a molecular dynamics trajectory of a micelle in a water box. For each frame, I want to get center of mass (COM) of the micelle and calculate the density of water molecules from COM to the sides of the water box. Does anybody know what is the…
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compiling vmd throws error: ld cant find tcl8.5

While compiling VMD-1.92 from source, compiling plugins section gives error: /bin/ld: cannot find -ltcl8.5 collect2: error: ld returned 1 exit status Reaping losing child 0x2094ac0 PID 10626 Makefile:49: recipe for target…
SPLINTER1369
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Delete residues with vmd atomselect command

I am trying to use the atomselect command to delete lipids within an area of proteins in my .gro file. Since it is a martini coarse grained file I can just use the keywords resname for residuenames, and name or type for bead-types (my pseudoatoms).…
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Whats does the .r stand for?

I'm doing this tutorial which is about scripting in VMD using TCL. At the 7th dot in step 5, what does '.r' in simdata($i.r) mean?
dada
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how to get an accurate number of frames in tcl script?

I have a trajectory contains 75 frames (*.dcd file). But when I try to calculate the number of frames by the tcl commands: set id [molinfo top get id ] puts [molinfo $id get numframes] I get much lower number, namely 3. so how can I get the correct…
Taktech
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how to read vmd file (.xyz format) of mixed variable for molecular dynamics in Fortran

I want to read .xyz file which looks like.... 3 !no. of particles 1.0000 ! time step a 2.345 2.458 0.564 ! ID x y z for 1st particle a 5.455 2.486 5.456 ! ID x y z…
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Writing Python or TCL VMD scripts

Does anyone know a complete tutorial to learn about writing Python or TCL scripts? I want to write a script to load a molecule , make 3 representations of it, and change attributes(like coloring method, drawing method, isovalue, etc) of each of…
Gihan
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