cuikatoms2samples.c
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void InitBioWorld(Tparameters *p, char *filename, unsigned int maxAtomsLink, double **conformation, TBioWorld *bw) Initializes a world form a biomolecule. Definition: bioworld.c:1394 #define REP_JOINTS One of the possible values of the REPRESENTATION parameter. Definition: parameters.h:60 Data structure to hold the information about the name of a file. Definition: filename.h:248 Definition of the Tfilename type and the associated functions. int main(int argc, char **arg) Main body of the cuikatoms2samples application. Definition: cuikatoms2samples.c:73 Definitions of constants and macros used in several parts of the cuik library. unsigned int BioWorldNAtoms(TBioWorld *bw) Number of atoms in the molecule. Definition: bioworld.c:1807 A table of parameters. void CreateFileName(char *path, char *name, char *suffix, char *ext, Tfilename *fn) Constructor. Definition: filename.c:22 A bridge between world structures and biological information. void InitParametersFromFile(char *file, Tparameters *p) Constructor from a file. Definition: parameters.c:51 char * GetFileFullName(Tfilename *fn) Gets the file full name (paht+name+extension). Definition: filename.c:151 #define JOINTS_EXT File extension for files with samples represented by the joint values. Definition: filename.h:187 #define NO_UINT Used to denote an identifier that has not been initialized. Definition: defines.h:435 unsigned int BioWordConformationFromAtomPositions(Tparameters *p, double *atoms, double **conformation, TBioWorld *bw) Produces the internal coordinates from the atom positions. Definition: bioworld.c:1876 double GetParameter(unsigned int n, Tparameters *p) Gets the value for a particular parameter. Definition: parameters.c:93 #define LINKS_EXT File extension for files with samples represented by the link poses. Definition: filename.h:180 |
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