cuikpdb2world.c File Reference

Detailed Description


Main body of the cuikpdb2world application. This application translates molecular information (in pdb format) to a world file (a file describing a robot) that will be later processed with the CuikSuite tools.

Definition in file cuikpdb2world.c.


int main (int argc, char **arg)
 Main body of the cuikpdb2world application. More...

Function Documentation

int main ( int  argc,
char **  arg 

Main body of the cuikpdb2world application.


  • cuikpdb2world problem_name.pdb [maxAtoms]


  • problem_name contains the molecular information.
  • maxAtoms [optional] Maximum number of atoms in a rigid compound to be represented in a fancy way. Rigids clusters larger than this limit are represented using wireframe. The advantage is that wireframe is significantly faster when displaying conformations. The problems is that wireframe is not used when computing collisions. If not given all atoms are represented in a fancy way

The extension (e.g., .pdb ) is COMPULSATORY. All the extensions managed by OpenBabel can be used.

argcNumber of elements in the command line that starts the application (i.e., the cuikpdb2world command itself and its arguments).
argStrings with the arguments.
EXIT_SUCCESS (0) if the execution worked out fine and EXIT_FAILURE if not.

Definition at line 63 of file cuikpdb2world.c.

References CreateFileName(), DeleteBioWorld(), DeleteFileName(), DeleteParameters(), GetFileFullName(), InitBioWorld(), InitParametersFromFile(), NO_UINT, PARAM_EXT, and PrintBioWorld().