usage: mdtools [-h]{DSSP,RMSF,Rg,XTC2PDB,PDB2XTC,catTraj,HB,HBComp} ... MD tools kits positional arguments:{DSSP,RMSF,Rg,XTC2PDB,PDB2XTC,catTraj,HB,HBComp} DSSP Calculate the secondary information. RMSF Calculate the RMSF value. Rg Calculate the Residue gyration value for ensemble. XTC2PDB Convert single trajectory file to multiple PDB file. PDB2XTC Convert multiple PDB files to single trajectory file. catTraj Read the trajectory file and obtain the information. HB Calculate the hydrogen bond information. HBComp Compare two msm ensemble hydrogen bond. h1 - h2 optional arguments: -h, --help show this help message and exit