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Other Utilities

As the number of utilities is still growing, please refer to the file utilities.txt for a full list of available programs. Some of them are described here:

ego2pdb is a utility to convert the atomic positions calculated by EGO during an MD-simulation to other file formats, e.g. to a PDB file or to coord.lis file. This utility is also able to read coordinates given in a free format. For further information type ego2pdb and see the given description. To provide an example, the comand line
ego2pdb pti.pdb 00000010.ego 00000010.pdb
will combine the coordinates from the given single EGO-output file 00000010.ego with the original PDB file (used to create the EGO lis-files) to create corresponding new PDB files. These new PDB files are suitable for input to X-PLOR or Quanta, e.g., for further analysis or visualization.

ego2crd is a second important utility program which converts trajectories calculated by EGO to CHARMM compatible DCD-files or to X-PLOR compatible CRD-files. For usage information type ego2crd

Helmut Heller