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mms-fcul / PypKa

A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
https://pypka.readthedocs.io/en/latest/
GNU Lesser General Public License v3.0
56 stars 10 forks source link

Inquiry about the pKa CSV file in pKPDB #15

Closed honglean closed 1 year ago

honglean commented 1 year ago

Hello, I want to download the pKa CSV file, but I can't open the webpage. Do you give me some help?Thank you very much.

pedrishi commented 1 year ago

Hi, yesterday we had some problems with the server but today it should be running as intended. Thus, you should now be able to retrieve that file directly from the webserver.

honglean commented 1 year ago

Thank you very much for your response, I have successfully downloaded the data, and appreciate your openness with the data.

honglean commented 1 year ago

Hello, sorry to bother you again. I downloaded the pkas.csv.gz file, but when I tried using multiple decompression software, it showed that the compression file format is unknown or the data is corrupted, or the compressed file can not be found. Additionally, when I removed the .gz extension, I was able to open the CSV file, but it only shows 1048576 rows. Do you know any solutions to this issue?

pedrishi commented 1 year ago

Hey, that's strange... I just downloaded from the server (https://api.pypka.org/pkas.csv.gz) and unzipped with gunzip. The resulting csv file has 12628149 lines.

honglean commented 1 year ago

Ok, I'll try a few more times, thank you for your reply!