List of import functions

Contents

Version

2.11

Contact

Please report problems/bugs to michael.holmboe@umu.se

Import of data files

  1. import_xvg(filename) % This function imports a Gromacs .xvg file

Import of structure files

  1. import_atom_car(filename,varargin) % This function imports .car files from Hendrik Heinz INTERFACE ff distribution, and then tries to write out a Gromacs molecular topology file (.itp) and a new .pdb file
  2. import_atom_gro(filename) % This function imports .gro files into the atom struct
  3. import_atom_multiple_gro(filename,nFrames) % This function import multiple .gro files
  4. import_atom_pdb(filename) % This function imports .pdb files into the atom struct
  5. import_atom_xyz(filename) % This imports an .xyz file into the atom struct
  6. import_atom(filename) % import_atom.m - This imports a .xyz/.gro/.pdb file and puts the data in a structure variable called atom
  7. import_xyz(filename) % This function imports an .xyz file. Atom types should be made of letters, not numbers... Try the import_atom_xyz function instead...

Import of trajectory files (these functions may depend other third party functions...)

  1. import_gro_traj(filename,varargin) % This function imports an strcture and an .gro trajectory file
  2. import_atom_multiple_gro(filename,nFrames) % This function import multiple .gro files
  3. import_mc_pdb_traj(filename,varargin) % This function imports an structure and an .pdb trajectory file, and can handle changing number of particles
  4. import_pdb_traj(filename,varargin) % This function imports an strcture and an .pdb trajectory file.
  5. import_traj(filenameconf,filenametraj) % This function imports an strcture and an dcd, trr, xtc, xyz or gro  trajectory file.
  6. import_trr(filenameconf,filenametraj) % This function imports an structure and an trr  trajectory file
  7. import_trrv2(filenameconf,filenametraj) % This function imports an structure and an trr  trajectory file
  8. import_xtc(filenameconf,filenamextc) % import_atom_xtc.m - This imports a structure file and a xtc file
  9. import_xtcv2(filenameconf,filenamextc) % import_atom_xtc.m - This imports a structure file and a xtc file
  10. import_xyz_traj(filenametraj) % import_xyz_traj.m - This imports an strcture and an .xyz trajectory file.


Published with MATLAB® R2022a