Computer-Aided Drug Design at the Durrant Lab › Forums › AutoGrow4 › Ubuntu
- This topic has 3 replies, 1 voice, and was last updated 4 years, 5 months ago by Jacob Durrant.
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- May 28, 2020 at 10:30 pm #13586YashGuest
#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 #13587YashGuest
yash@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 #13594YashGuest
Solution!!
$ alias python=python3 - June 27, 2020 at 8:50 pm #13936Jacob DurrantKeymaster
Sorry 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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