Commit 36ae572f by Chloe Dequeker

finishing ZDOCK implementation

parent 7ae24af0
...@@ -13,9 +13,13 @@ struct pdb_values* rotate_global(struct pdb_values* pdb, struct pdb_values* pdbR ...@@ -13,9 +13,13 @@ struct pdb_values* rotate_global(struct pdb_values* pdb, struct pdb_values* pdbR
struct pdb_values* rotate_HEX(struct pdb_values* pdb, struct pdb_values* newPDB, float trans_X, float trans_Y, float trans_Z, float alpha,float beta,float gamma); struct pdb_values* rotate_HEX(struct pdb_values* pdb, struct pdb_values* newPDB, float trans_X, float trans_Y, float trans_Z, float alpha,float beta,float gamma);
struct pdb_values* rotate_ZDOCK_init(struct pdb_values* pdb, struct pdb_values* newPDB, float trans_X, float trans_Y, float trans_Z, float alpha, float beta, float gamma); struct pdb_values* rotate_ZDOCK_init(struct pdb_values* pdb, struct pdb_values* newPDB);
struct pdb_values* rotate_ZDOCK(struct pdb_values* pdb, struct pdb_values* newPDB, float trans_X, float trans_Y, float trans_Z, float alpha, float beta, float gamma); struct pdb_values* rotate_ZDOCK(struct pdb_values* pdb, struct pdb_values* newPDB, float trans_X, float trans_Y, float trans_Z, float alpha, float beta, float gamma);
void init_ZDOCK(struct pdb_values** pdbR_addr, struct pdb_values** pdbL_addr); void init_ZDOCK(struct pdb_values** pdbR_addr, struct pdb_values** pdbL_addr);
void rotateAtom (float oldX, float oldY, float oldZ,
float *newX, float *newY, float *newZ,
float alpha, float beta, float gamma, int rev);
#endif #endif
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