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megadock-on-colab's Introduction

MEGADOCK-on-Colab

This repository provides a jupyter notebook file to run MEGADOCK on the Google Colaboratory environment.
Try to use!

MEGADOCK is an protein-protein docking/interaction prediction software using FFT-grid-based docking.

Developer

  • Masahito Ohue, Ph.D. (Assistant Professor, Tokyo Institute of Technology)

Reference

License

License: CC BY-NC 4.0
MEGADOCK and MEGADOCK-on-Colab are licensed by CC BY-NC 4.0. These software and derivatives are NOT allowed for any commercial use without formal prior authorization. Please contact us about commercial use. If you are considering commercial use, please contact us as there are differently charged use options licensed by Ahead Biocomputing, Co. Ltd., a private company as a Tokyo Tech Venture.

megadock-on-colab's People

Contributors

tonets avatar

Stargazers

Johnny Tam avatar Muneeb Nasir avatar  avatar Hlumisa Mazomba avatar Lina Rozano avatar Bipin Singh avatar  avatar Oliver Fleetwood avatar  avatar  avatar Yuan Liu avatar  avatar  avatar Naoya Kobayashi avatar

Watchers

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megadock-on-colab's Issues

file upload error

Thank you for useful tool.
I have problem with uploading file.

In the first of this program,

from google.colab import files
#@markdown Receptor PDB (-R)
print("upload receptor PDB file (.pdb)")
rup = files.upload()
rfilename = list(rup.keys())[0]

and then


MessageError Traceback (most recent call last)
in <cell line: 4>()
2 #@markdown Receptor PDB (-R)
3 print("upload receptor PDB file (.pdb)")
----> 4 rup = files.upload()
5 rfilename = list(rup.keys())[0]

3 frames
/usr/local/lib/python3.10/dist-packages/google/colab/_message.py in read_reply_from_input(message_id, timeout_sec)
101 ):
102 if 'error' in reply:
--> 103 raise MessageError(reply['error'])
104 return reply.get('data', None)
105

MessageError: RangeError: Maximum call stack size exceeded.

Maybe file upload error?
How can treat with this problem?

Thank you.

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