tripeptide_cln025_data

"tripeptide_nowater.dcd" : Exercise 1 (trajectory files of alanine tripeptide removing water molecules and ions) "tripeptide_nowater.psf": Exercise 1 (topology files of alanine tripeptide removing water molecules and ions) "tri_sin_phi_data.npz": Exercise 1, 2 (Extract the sine values of six backbone dihedral angles of tripeptide trajectory, together with the corresponding dihedral angle values (φ) and save as a npz file) "cln025_aligned.npz": Exercise 3 (Align a CLN025 dcd trajectory to a reference structure and output a npz file of aligned Cartesian coordinates) "chig_sin_rmsd_rg_data.npz": Exercise 3 (Extract and store sine-transformed dihedral angles, RMSD, and Rg data from CLN025 trajectory and output a npz file )"tripeptide_nowater.dcd": 练习1（去除水分子与离子的丙氨酸三肽（alanine tripeptide）轨迹文件） "tripeptide_nowater.psf": 练习1（去除水分子与离子的丙氨酸三肽拓扑文件） "tri_sin_phi_data.npz": 练习1、练习2（提取三肽轨迹的6个主链二面角的正弦值，以及对应的二面角φ值，并保存为npz格式文件） "cln025_aligned.npz": 练习3（将CLN025的dcd轨迹与参考结构进行对齐，并输出对齐后的笛卡尔坐标npz文件） "chig_sin_rmsd_rg_data.npz": 练习3（从CLN025轨迹中提取并存储正弦变换后的二面角、均方根偏差（RMSD，Root Mean Square Deviation）与回转半径（Rg，Radius of Gyration）数据，并输出npz格式文件）