element : to select for the element name e.g.atomicnumber : to select for the atomic number of the atoms e.g.name or type : to select for specific atoms e.g.resid : to select for residues at specific positions e.g.resname : to select for specific residue names (with 3 letter code).Similar to PyMOL, VMD has specific notation to select for certain residues and atoms: Mouse –> Move –> Fragment – 7 – moves fragment by changing its coordinates Mouse –> Move –> Residue – 6 – moves residue by changing its coordinates Mouse –> Move –> Atom – 5 – moves atom by changing its coordinates Mouse –> Label –> Dihedral – 4 – dihedral angle between four atoms Mouse –> Label –> Angle – 3 – angle between three atoms Mouse –> Label –> Bond – 2 – distance between two atoms Query – 0 – information about the picked atom will be displayed in the console Setting the background color to white: color Display Background white To open the console: Extensions Tk Console You would do this by stating explicitly in the Molecule File Browser, Load files for –> select your structure file.Īs in PyMOL all commands in VMD can be realized either by using the graphical interface or the text commands. Here you can either load in another protein file (PDB, PQR, PQRM) or a gridfile, but in the latter you would need to associate it with your structure file. files that indicate position specific properties of your protein or molecule of interest.įiles can be loaded in via the command line: vmd -dx -pdb įiles can also be loaded in via the GUI, using File –> New Molecule… VMD is great for visualizing grid files, i.e. VMD is also special because many other features from other programs in the computational biochemistry field are implemented into VMD. VMD stands for visualizing molecular dynamics and is besides PyMOL one of the most used molecular visualization softwares out there, at least for proteins.
0 kommentar(er)
