analyze_bound_poses gives error + typo in script about pylipid HOT 7 CLOSED

Hi,

Thanks for pointing out the typo.. I have corrected.
I have also corrected the issue with the reported error. Please update to the latest version by 'pip install pylipid --upgrade'. Let me know if you have issues with the updated version.

Wanling

from pylipid.

The latest version is 1.4.5.

from pylipid.

Hello,

Thanks for your reply.

The error then appears to be fixed but is now in the next function:

File "python_interaction.py", line 69, in
surface_area_data = li.compute_surface_area(binding_site_id=None, radii=radii)
File "/home/asma97/.local/lib/python3.8/site-packages/pylipid/api/api.py", line 946, in compute_surface_area
plot_surface_area(surface_area_data,
File "/home/asma97/.local/lib/python3.8/site-packages/pylipid/plot/plot1d.py", line 349, in plot_surface_area
axes[row_idx, col_idx].plot(df["Time"], df[bs_name], color=colors[col_idx],

IndexError: too many indices for array: array is 1-dimensional, but 2 were indexed

from pylipid.

In order to fix the error, could you please let me know how many binding sites were calculated by pylipid and how many trajectories were used for calculation?

from pylipid.

My guess is probably just one binding site was detected. I tried to fix the bug based on that. Please update pylipid to 1.4.6 and see if this issue is fixed.

from pylipid.

Hi,

One trajectory was used. There were seven BS_id7.pdf files produced. I will test the new update.

from pylipid.

Hi,

I have figured out what issue is and fixed the bug. Please use the 1.4.7 version.

from pylipid.