Computer-Aided Drug Design at the Durrant Lab › Forums › AutoGrow4 › Ubuntu
- This topic has 3 replies, 1 voice, and was last updated 4 years, 8 months ago by
Jacob Durrant.
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- May 28, 2020 at 10:30 pm #13586
Yash
Guest#The latest Debian builds have Python3-rdkit available.
#Somehow Auto-grow cannot call newer version of rdkit and keeps on giving following errorTraceback (most recent call last):
File "RunAutogrow.py", line 657, in <module>
vars, printout = load_in_commandline_parameters(INPUTS)
File "/home/yash/autogrow4-4.0.1/autogrow/user_vars.py", line 986, in load_in_commandline_parameters
check_dependencies()
File "/home/yash/autogrow4-4.0.1/autogrow/user_vars.py", line 578, in check_dependencies
raise ImportError("You need to install rdkit and its dependencies.")
ImportError: You need to install rdkit and its dependencies. - May 28, 2020 at 11:07 pm #13587
Yash
Guestyash@aB8luc:~/autogrow4-4.0.1$ sudo apt-get install python3-rdkit
Reading package lists… Done
Building dependency tree
Reading state information… Done
python3-rdkit is already the newest version (201903.1-2).
0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. - May 29, 2020 at 8:07 pm #13594
Yash
GuestSolution!!
$ alias python=python3 - June 27, 2020 at 8:50 pm #13936
Jacob Durrant
KeymasterSorry for my delay in responding, Yash. Very happy you were able to resolve the problem. Much thanks, too, for posting your solution to help others. Take care.
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