7 #include "../inc/config.h"
16 main(int argc, char* argv[])
22 argCheck(&info, argc, argv);
26 if(info.flagcudaDeviceID) {
27 eosCudaInit(info.cudaDeviceID);
31 pdbFileRead(info.fptinFile, &pdb);
33 DEBUGPRINT("MatrixArraySet\n");
35 if(info.flagmatFile) {
38 pdbMatrixFileRead(info.fptmatFile, Matrix);
39 DEBUGPRINT3("Maatrix: %f %f %f \n", Matrix[0][0], Matrix[0][1], Matrix[0][2]);
40 pdbTrans(&pdb, Matrix);
42 if(info.flagRotMode) {
43 pdbRotationFollowingEulerAngle(&pdb, info.RotMode, info.Rot1*RADIAN, info.Rot2*RADIAN, info.Rot3*RADIAN);
46 pdbFileWrite(info.fptoutFile, &pdb);
53 pdbMatrixFileFormat(stderr);
54 fprintf(stderr, "--- Attention ---\n");
55 fprintf(stderr, "If both options of -M and -EA are set, \n");
56 fprintf(stderr, " first, translation and rotation by -M will be performed \n");
57 fprintf(stderr, " then, rotation by -EA will be done.\n");