lhatsk/AlphaLink

Run "python preprocessing_distributions.py --infile restraints.csv" but get an error

chenx469 opened this issue · 4 comments

Hi,

When I tried to get distance distributions from restraint lists by running "python preprocessing_distributions.py --infile restraints.csv", I received an error like below

$ python preprocessing_distributions.py --infile restraints.csv
Traceback (most recent call last):
File "/lscratch/14291792/preprocessing_distributions.py", line 50, in
for line in restraints:
TypeError: iteration over a 0-d array

The restraints.csv is a test file and only has one line
12,135,15.0,5.0,normal

Could you let me know how to solve this problem?

Really appreciate!

Xiang

lhatsk commented

Thanks for reporting this! Should be fixed now.

Thank you very much. It works now.

I am falling into a different issue now. I am running preprocessing_distributions.py on a test file containing two lines:
12,135,15.0,5.0,normal
13,136,14.0,5.0,normal

I am seeing the following error after running the script:

$ python preprocessing_distributions.py --infile restraints.csv
Traceback (most recent call last):
File "/../preprocessing_distributions.py", line 54, in
if line["type"] == "normal":
ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()

Could you please help me with this problem?

Thank you,
Varvara

lhatsk commented

Sorry! Also fixed now...