I encountered an issue while attempting to utilize ivampnet for the trajectory analysis of my protein. Specifically, when processing the data with featurization, an error is encountered.
To provide some context, the protein I am working with consists of 902 residues. However, during the featurization process, an error occurs, impeding further analysis.
Length of syt_files: 10
0%| | 0/10 [00:00<?, ?it/s]
Hi
Thanks for package development of multiple MSM.
I encountered an issue while attempting to utilize ivampnet for the trajectory analysis of my protein. Specifically, when processing the data with featurization, an error is encountered.
To provide some context, the protein I am working with consists of 902 residues. However, during the featurization process, an error occurs, impeding further analysis. Length of syt_files: 10 0%| | 0/10 [00:00<?, ?it/s]
IndexError Traceback (most recent call last) Cell In[23], line 23 21 print("trajid:", trajid) 22 print("syt_files length:", len(syt_files)) ---> 23 dset = f.create_dataset(syt_files[trajid].split('/')[-2], 24 shape=(it.trajectory_length(), feat.dimension()), 25 dtype=np.float32) 26 start = 0 27 last_trajid = trajid